
     Program PWSCF v.6.3MaX starts on 12Nov2018 at  8:39:48 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Serial multi-threaded version, running on    6 processor cores
     Waiting for input...
     Reading input from standard input

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum        2421    1207    345               125637    44329    6765



     bravais-lattice index     =            0
     lattice parameter (alat)  =       9.4411  a.u.
     unit-cell volume          =    1299.5707 (a.u.)^3
     number of atoms/cell      =           20
     number of atomic types    =            4
     number of electrons       =       172.00
     number of Kohn-Sham states=          103
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     320.0000  Ry
     convergence threshold     =      1.0E-06
     mixing beta               =       0.4000
     number of iterations used =            8  plain     mixing
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   9.441072  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.000000   0.000000  -0.000000 )  
               a(2) = (   0.000000   1.068226   0.000000 )  
               a(3) = (  -0.000000   0.000000   1.445682 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  1.000000 -0.000000  0.000000 )  
               b(2) = ( -0.000000  0.936131 -0.000000 )  
               b(3) = (  0.000000 -0.000000  0.691715 )  


     PseudoPot. # 1 for Y  read from file:
     /home/ngt/.burai/.pseudopot/y_lda_v1.4.uspp.F.UPF
     MD5 check sum: 386e4c7b01e09a9eff75f26d15d730de
     Pseudo is Ultrasoft + core correction, Zval = 11.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  885 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    1.200   1.200   1.200
                                                       1.200   1.200

     PseudoPot. # 2 for O  read from file:
     /home/ngt/.burai/.pseudopot/o_lda_v1.2.uspp.F.UPF
     MD5 check sum: 194b818514d2a7dbb603bb78519a4f40
     Pseudo is Ultrasoft + core correction, Zval =  6.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  737 points,  5 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    0.900   0.900   0.900
                                                       0.900   0.900

     PseudoPot. # 3 for Cr read from file:
     /home/ngt/.burai/.pseudopot/cr_lda_v1.5.uspp.F.UPF
     MD5 check sum: 2979c5bb56026098c20f4417282d6384
     Pseudo is Ultrasoft + core correction, Zval = 14.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  857 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    0.950   0.950   0.950
                                                       0.950   0.950

     PseudoPot. # 4 for Cr read from file:
     /home/ngt/.burai/.pseudopot/cr_lda_v1.5.uspp.F.UPF
     MD5 check sum: 2979c5bb56026098c20f4417282d6384
     Pseudo is Ultrasoft + core correction, Zval = 14.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  857 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    0.950   0.950   0.950
                                                       0.950   0.950

     atomic species   valence    mass     pseudopotential
        Y             11.00    88.90585     Y ( 1.00)
        O              6.00    15.99940     O ( 1.00)
        Cr2           14.00    51.99610     Cr( 1.00)
        Cr1           14.00    51.99610     Cr( 1.00)

     Starting magnetic structure 
     atomic species   magnetization
        Y            0.000
        O            0.000
        Cr2         -0.800
        Cr1          0.800


     Simplified LDA+U calculation (l_max = 2) with parameters (eV):
     atomic species    L          U    alpha       J0     beta
        Cr2            2     1.1302   0.0000   0.0000   0.0000
        Cr1            2     1.1302   0.0000   0.0000   0.0000



      4 Sym. Ops., with inversion, found ( 2 have fractional translation)


                                    s                        frac. trans.

      isym =  1     identity                                     

 cryst.   s( 1) = (     1          0          0      )
                  (     0          1          0      )
                  (     0          0          1      )

 cart.    s( 1) = (  1.0000000  0.0000000  0.0000000 )
                  (  0.0000000  1.0000000  0.0000000 )
                  (  0.0000000  0.0000000  1.0000000 )


      isym =  2     180 deg rotation - cart. axis [0,1,0]        

 cryst.   s( 2) = (    -1          0          0      )    f =( -0.4999990 )
                  (     0          1          0      )       ( -0.4999990 )
                  (     0          0         -1      )       (  0.5000000 )

 cart.    s( 2) = ( -1.0000000  0.0000000 -0.0000000 )    f =( -0.4999990 )
                  (  0.0000000  1.0000000  0.0000000 )       ( -0.5341120 )
                  ( -0.0000000  0.0000000 -1.0000000 )       (  0.7228411 )


      isym =  3     inversion                                    

 cryst.   s( 3) = (    -1          0          0      )
                  (     0         -1          0      )
                  (     0          0         -1      )

 cart.    s( 3) = ( -1.0000000  0.0000000 -0.0000000 )
                  (  0.0000000 -1.0000000  0.0000000 )
                  ( -0.0000000  0.0000000 -1.0000000 )


      isym =  4     inv. 180 deg rotation - cart. axis [0,1,0]   

 cryst.   s( 4) = (     1          0          0      )    f =( -0.5000000 )
                  (     0         -1          0      )       ( -0.4999990 )
                  (     0          0          1      )       (  0.5000000 )

 cart.    s( 4) = (  1.0000000  0.0000000  0.0000000 )    f =( -0.5000000 )
                  (  0.0000000 -1.0000000  0.0000000 )       ( -0.5341120 )
                  (  0.0000000  0.0000000  1.0000000 )       (  0.7228411 )


   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Y   tau(   1) = (   0.0202368   0.9898775   1.0842616  )
         2           Y   tau(   2) = (   0.5202369   0.6124605   0.3614206  )
         3           Y   tau(   3) = (   0.4797621   0.4557655   1.0842614  )
         4           Y   tau(   4) = (   0.9797631   0.0783475   0.3614204  )
         5           Cr1 tau(   5) = (  -0.0000000   0.5341130   0.7228410  )
         6           Cr2 tau(   6) = (   0.5000000   0.0000000   0.7228410  )
         7           Cr1 tau(   7) = (   0.5000000   0.0000000  -0.0000000  )
         8           Cr2 tau(   8) = (   0.0000000   0.5341130   0.0000000  )
         9           O   tau(   9) = (   0.6881865   0.3242273   0.6487737  )
        10           O   tau(  10) = (   0.1881866   0.2098856   0.7969083  )
        11           O   tau(  11) = (   0.8118135   0.8583403   0.0740673  )
        12           O   tau(  12) = (   0.3118132   0.7439986   1.3716148  )
        13           O   tau(  13) = (   0.3118134   0.7439988   0.7969084  )
        14           O   tau(  14) = (   0.8118133   0.8583405   0.6487737  )
        15           O   tau(  15) = (   0.1881865   0.2098857   1.3716147  )
        16           O   tau(  16) = (   0.6881867   0.3242275   0.0740673  )
        17           O   tau(  17) = (   0.1034195   0.5043998   0.3614205  )
        18           O   tau(  18) = (   0.6034195   0.0297132   1.0842615  )
        19           O   tau(  19) = (   0.3965805   1.0385118   0.3614205  )
        20           O   tau(  20) = (   0.8965804   0.5638262   1.0842615  )

   Crystallographic axes

     site n.     atom                  positions (cryst. coord.)
         1           Y   tau(   1) = (  0.0202369  0.9266554  0.7500001  )
         2           Y   tau(   2) = (  0.5202369  0.5733436  0.2500001  )
         3           Y   tau(   3) = (  0.4797621  0.4266564  0.7499999  )
         4           Y   tau(   4) = (  0.9797631  0.0733436  0.2499999  )
         5           Cr1 tau(   5) = (  0.0000000  0.5000000  0.5000000  )
         6           Cr2 tau(   6) = (  0.5000000  0.0000000  0.5000000  )
         7           Cr1 tau(   7) = (  0.5000000  0.0000000  0.0000000  )
         8           Cr2 tau(   8) = (  0.0000000  0.5000000  0.0000000  )
         9           O   tau(   9) = (  0.6881865  0.3035194  0.4487665  )
        10           O   tau(  10) = (  0.1881867  0.1964805  0.5512335  )
        11           O   tau(  11) = (  0.8118135  0.8035194  0.0512335  )
        12           O   tau(  12) = (  0.3118133  0.6964805  0.9487665  )
        13           O   tau(  13) = (  0.3118135  0.6964806  0.5512335  )
        14           O   tau(  14) = (  0.8118133  0.8035195  0.4487665  )
        15           O   tau(  15) = (  0.1881865  0.1964806  0.9487665  )
        16           O   tau(  16) = (  0.6881867  0.3035195  0.0512335  )
        17           O   tau(  17) = (  0.1034195  0.4721846  0.2500000  )
        18           O   tau(  18) = (  0.6034195  0.0278154  0.7500000  )
        19           O   tau(  19) = (  0.3965805  0.9721836  0.2500000  )
        20           O   tau(  20) = (  0.8965805  0.5278154  0.7500000  )

     number of k points=    39  gaussian smearing, width (Ry)=  0.0100
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0100000
        k(    2) = (   0.0000000   0.0000000   0.1383430), wk =   0.0200000
        k(    3) = (   0.0000000   0.0000000   0.2766860), wk =   0.0200000
        k(    4) = (   0.0000000   0.2340329   0.0000000), wk =   0.0200000
        k(    5) = (   0.0000000   0.2340329   0.1383430), wk =   0.0400000
        k(    6) = (   0.0000000   0.2340329   0.2766860), wk =   0.0400000
        k(    7) = (   0.0000000  -0.4680657   0.0000000), wk =   0.0100000
        k(    8) = (   0.0000000  -0.4680657   0.1383430), wk =   0.0200000
        k(    9) = (   0.0000000  -0.4680657   0.2766860), wk =   0.0200000
        k(   10) = (   0.2000000   0.0000000   0.0000000), wk =   0.0200000
        k(   11) = (   0.2000000   0.0000000   0.1383430), wk =   0.0200000
        k(   12) = (   0.2000000   0.0000000   0.2766860), wk =   0.0200000
        k(   13) = (   0.2000000   0.2340329   0.0000000), wk =   0.0400000
        k(   14) = (   0.2000000   0.2340329   0.1383430), wk =   0.0400000
        k(   15) = (   0.2000000   0.2340329   0.2766860), wk =   0.0400000
        k(   16) = (   0.2000000  -0.4680657   0.0000000), wk =   0.0200000
        k(   17) = (   0.2000000  -0.4680657   0.1383430), wk =   0.0200000
        k(   18) = (   0.2000000  -0.4680657   0.2766860), wk =   0.0200000
        k(   19) = (   0.4000000   0.0000000   0.0000000), wk =   0.0200000
        k(   20) = (   0.4000000   0.0000000   0.1383430), wk =   0.0200000
        k(   21) = (   0.4000000   0.0000000   0.2766860), wk =   0.0200000
        k(   22) = (   0.4000000   0.2340329   0.0000000), wk =   0.0400000
        k(   23) = (   0.4000000   0.2340329   0.1383430), wk =   0.0400000
        k(   24) = (   0.4000000   0.2340329   0.2766860), wk =   0.0400000
        k(   25) = (   0.4000000  -0.4680657   0.0000000), wk =   0.0200000
        k(   26) = (   0.4000000  -0.4680657   0.1383430), wk =   0.0200000
        k(   27) = (   0.4000000  -0.4680657   0.2766860), wk =   0.0200000
        k(   28) = (  -0.2000000   0.0000000   0.1383430), wk =   0.0200000
        k(   29) = (  -0.2000000   0.0000000   0.2766860), wk =   0.0200000
        k(   30) = (  -0.2000000  -0.2340329   0.1383430), wk =   0.0400000
        k(   31) = (  -0.2000000  -0.2340329   0.2766860), wk =   0.0400000
        k(   32) = (  -0.2000000   0.4680657   0.1383430), wk =   0.0200000
        k(   33) = (  -0.2000000   0.4680657   0.2766860), wk =   0.0200000
        k(   34) = (  -0.4000000   0.0000000   0.1383430), wk =   0.0200000
        k(   35) = (  -0.4000000   0.0000000   0.2766860), wk =   0.0200000
        k(   36) = (  -0.4000000  -0.2340329   0.1383430), wk =   0.0400000
        k(   37) = (  -0.4000000  -0.2340329   0.2766860), wk =   0.0400000
        k(   38) = (  -0.4000000   0.4680657   0.1383430), wk =   0.0200000
        k(   39) = (  -0.4000000   0.4680657   0.2766860), wk =   0.0200000

                       cryst. coord.
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0100000
        k(    2) = (   0.0000000   0.0000000   0.2000000), wk =   0.0200000
        k(    3) = (   0.0000000   0.0000000   0.4000000), wk =   0.0200000
        k(    4) = (   0.0000000   0.2500000   0.0000000), wk =   0.0200000
        k(    5) = (   0.0000000   0.2500000   0.2000000), wk =   0.0400000
        k(    6) = (   0.0000000   0.2500000   0.4000000), wk =   0.0400000
        k(    7) = (   0.0000000  -0.5000000   0.0000000), wk =   0.0100000
        k(    8) = (   0.0000000  -0.5000000   0.2000000), wk =   0.0200000
        k(    9) = (   0.0000000  -0.5000000   0.4000000), wk =   0.0200000
        k(   10) = (   0.2000000   0.0000000   0.0000000), wk =   0.0200000
        k(   11) = (   0.2000000   0.0000000   0.2000000), wk =   0.0200000
        k(   12) = (   0.2000000   0.0000000   0.4000000), wk =   0.0200000
        k(   13) = (   0.2000000   0.2500000   0.0000000), wk =   0.0400000
        k(   14) = (   0.2000000   0.2500000   0.2000000), wk =   0.0400000
        k(   15) = (   0.2000000   0.2500000   0.4000000), wk =   0.0400000
        k(   16) = (   0.2000000  -0.5000000   0.0000000), wk =   0.0200000
        k(   17) = (   0.2000000  -0.5000000   0.2000000), wk =   0.0200000
        k(   18) = (   0.2000000  -0.5000000   0.4000000), wk =   0.0200000
        k(   19) = (   0.4000000   0.0000000   0.0000000), wk =   0.0200000
        k(   20) = (   0.4000000   0.0000000   0.2000000), wk =   0.0200000
        k(   21) = (   0.4000000   0.0000000   0.4000000), wk =   0.0200000
        k(   22) = (   0.4000000   0.2500000   0.0000000), wk =   0.0400000
        k(   23) = (   0.4000000   0.2500000   0.2000000), wk =   0.0400000
        k(   24) = (   0.4000000   0.2500000   0.4000000), wk =   0.0400000
        k(   25) = (   0.4000000  -0.5000000   0.0000000), wk =   0.0200000
        k(   26) = (   0.4000000  -0.5000000   0.2000000), wk =   0.0200000
        k(   27) = (   0.4000000  -0.5000000   0.4000000), wk =   0.0200000
        k(   28) = (  -0.2000000   0.0000000   0.2000000), wk =   0.0200000
        k(   29) = (  -0.2000000   0.0000000   0.4000000), wk =   0.0200000
        k(   30) = (  -0.2000000  -0.2500000   0.2000000), wk =   0.0400000
        k(   31) = (  -0.2000000  -0.2500000   0.4000000), wk =   0.0400000
        k(   32) = (  -0.2000000   0.5000000   0.2000000), wk =   0.0200000
        k(   33) = (  -0.2000000   0.5000000   0.4000000), wk =   0.0200000
        k(   34) = (  -0.4000000   0.0000000   0.2000000), wk =   0.0200000
        k(   35) = (  -0.4000000   0.0000000   0.4000000), wk =   0.0200000
        k(   36) = (  -0.4000000  -0.2500000   0.2000000), wk =   0.0400000
        k(   37) = (  -0.4000000  -0.2500000   0.4000000), wk =   0.0400000
        k(   38) = (  -0.4000000   0.5000000   0.2000000), wk =   0.0200000
        k(   39) = (  -0.4000000   0.5000000   0.4000000), wk =   0.0200000

     Dense  grid:   125637 G-vectors     FFT dimensions: (  54,  60,  80)

     Smooth grid:    44329 G-vectors     FFT dimensions: (  40,  45,  60)

     Dynamical RAM for                 wfc:       8.73 MB

     Dynamical RAM for     wfc (w. buffer):     689.34 MB

     Dynamical RAM for             U proj.:       1.69 MB

     Dynamical RAM for  U proj. (w. buff.):     133.85 MB

     Dynamical RAM for           str. fact:       7.67 MB

     Dynamical RAM for           local pot:       0.00 MB

     Dynamical RAM for          nlocal pot:      25.42 MB

     Dynamical RAM for                qrad:       8.62 MB

     Dynamical RAM for          rho,v,vnew:      23.37 MB

     Dynamical RAM for               rhoin:       7.79 MB

     Dynamical RAM for            rho*nmix:      61.35 MB

     Dynamical RAM for           G-vectors:       7.53 MB

     Dynamical RAM for          h,s,v(r/c):       0.49 MB

     Dynamical RAM for          <psi|beta>:       0.47 MB

     Dynamical RAM for      wfcinit/wfcrot:      24.17 MB

     Dynamical RAM for           addusdens:     381.50 MB

     Estimated static dynamical RAM per process >     986.38 MB

     Estimated max dynamical RAM per process >       1.34 GB
     Generating pointlists ...
     new r_m :   0.1776 (alat units)  1.6769 (a.u.) for type    1
     new r_m :   0.1556 (alat units)  1.4686 (a.u.) for type    2
     new r_m :   0.1556 (alat units)  1.4686 (a.u.) for type    3
     new r_m :   0.1556 (alat units)  1.4686 (a.u.) for type    4

     Check: negative/imaginary core charge=   -0.000004    0.000000

     Initial potential from superposition of free atoms
     Check: negative starting charge=(component1):   -0.002278
     Check: negative starting charge=(component2):   -0.002278

     starting charge  167.98485, renormalised to  172.00000

     negative rho (up, down):  2.333E-03 2.333E-03
 --- in v_hubbard ---
Hubbard energy    0.0000
 -------
     Number of +U iterations with fixed ns =  0
     Starting occupations:
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   5.00000  0.00000  5.00000
   spin  1
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
   spin  2
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
atomic mag. moment =     5.000000
atom    6   Tr[ns(na)] (up, down, total) =   0.00000  5.00000  5.00000
   spin  1
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
   spin  2
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
atomic mag. moment =    -5.000000
atom    7   Tr[ns(na)] (up, down, total) =   5.00000  0.00000  5.00000
   spin  1
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
   spin  2
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
atomic mag. moment =     5.000000
atom    8   Tr[ns(na)] (up, down, total) =   0.00000  5.00000  5.00000
   spin  1
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
   spin  2
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
atomic mag. moment =    -5.000000
N of occupied +U levels =   20.000000
 --- exit write_ns ---
 Atomic wfc used for LDA+U Projector are NOT orthogonalized
     Starting wfcs are  140 randomized atomic wfcs

     total cpu time spent up to now is       31.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  1.00E-02,  avg # of iterations =  2.3
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   3.92700  0.59011  4.51711
   spin  1
    eigenvalues: 
  0.471  0.474  0.990  0.994  0.997
    eigenvectors:
  0.235  0.545  0.016  0.142  0.062
  0.045  0.158  0.040  0.714  0.043
  0.081  0.003  0.481  0.121  0.313
  0.152  0.029  0.448  0.000  0.371
  0.487  0.265  0.014  0.023  0.210
    occupations:
  0.588 -0.206  0.051 -0.034  0.021
 -0.206  0.889  0.020 -0.007  0.029
  0.051  0.020  0.949  0.060  0.119
 -0.034 -0.007  0.060  0.899 -0.189
  0.021  0.029  0.119 -0.189  0.602
   spin  2
    eigenvalues: 
  0.066  0.070  0.076  0.185  0.193
    eigenvectors:
  0.012  0.185  0.000  0.005  0.799
  0.003  0.795  0.020  0.008  0.173
  0.257  0.015  0.654  0.057  0.017
  0.514  0.003  0.326  0.148  0.009
  0.215  0.002  0.000  0.782  0.001
    occupations:
  0.169  0.046 -0.013  0.008 -0.003
  0.046  0.093 -0.004  0.002 -0.007
 -0.013 -0.004  0.082 -0.008 -0.026
  0.008  0.002 -0.008  0.088  0.041
 -0.003 -0.007 -0.026  0.041  0.159
atomic mag. moment =     3.336889
atom    6   Tr[ns(na)] (up, down, total) =   0.59015  3.92712  4.51727
   spin  1
    eigenvalues: 
  0.066  0.070  0.076  0.185  0.193
    eigenvectors:
  0.011  0.185  0.000  0.005  0.799
  0.004  0.795  0.019  0.008  0.174
  0.255  0.015  0.655  0.057  0.017
  0.515  0.002  0.325  0.148  0.009
  0.215  0.002  0.000  0.782  0.001
    occupations:
  0.169 -0.046 -0.013  0.008  0.003
 -0.046  0.093  0.004 -0.002 -0.007
 -0.013  0.004  0.082 -0.008  0.026
  0.008 -0.002 -0.008  0.088 -0.041
  0.003 -0.007  0.026 -0.041  0.159
   spin  2
    eigenvalues: 
  0.472  0.474  0.990  0.994  0.997
    eigenvectors:
  0.227  0.553  0.016  0.141  0.063
  0.043  0.159  0.040  0.712  0.045
  0.081  0.003  0.478  0.123  0.316
  0.154  0.028  0.452  0.000  0.367
  0.495  0.257  0.015  0.024  0.209
    occupations:
  0.588  0.206  0.051 -0.034 -0.021
  0.206  0.889 -0.020  0.007  0.029
  0.051 -0.020  0.949  0.060 -0.119
 -0.034  0.007  0.060  0.899  0.189
 -0.021  0.029 -0.119  0.189  0.602
atomic mag. moment =    -3.336974
atom    7   Tr[ns(na)] (up, down, total) =   3.92700  0.59011  4.51711
   spin  1
    eigenvalues: 
  0.471  0.474  0.990  0.994  0.997
    eigenvectors:
  0.235  0.545  0.016  0.142  0.062
  0.045  0.158  0.040  0.714  0.043
  0.081  0.003  0.481  0.121  0.313
  0.152  0.029  0.448  0.000  0.371
  0.487  0.265  0.014  0.023  0.210
    occupations:
  0.588 -0.206 -0.051 -0.034 -0.021
 -0.206  0.889 -0.020 -0.007 -0.029
 -0.051 -0.020  0.949 -0.060  0.119
 -0.034 -0.007 -0.060  0.899  0.189
 -0.021 -0.029  0.119  0.189  0.602
   spin  2
    eigenvalues: 
  0.066  0.070  0.076  0.185  0.193
    eigenvectors:
  0.012  0.185  0.000  0.005  0.799
  0.003  0.795  0.020  0.008  0.173
  0.257  0.015  0.654  0.057  0.017
  0.514  0.003  0.326  0.148  0.009
  0.215  0.002  0.000  0.782  0.001
    occupations:
  0.169  0.046  0.013  0.008  0.003
  0.046  0.093  0.004  0.002  0.007
  0.013  0.004  0.082  0.008 -0.026
  0.008  0.002  0.008  0.088 -0.041
  0.003  0.007 -0.026 -0.041  0.159
atomic mag. moment =     3.336889
atom    8   Tr[ns(na)] (up, down, total) =   0.59015  3.92712  4.51727
   spin  1
    eigenvalues: 
  0.066  0.070  0.076  0.185  0.193
    eigenvectors:
  0.011  0.185  0.000  0.005  0.799
  0.004  0.795  0.019  0.008  0.174
  0.255  0.015  0.655  0.057  0.017
  0.515  0.002  0.325  0.148  0.009
  0.215  0.002  0.000  0.782  0.001
    occupations:
  0.169 -0.046  0.013  0.008 -0.003
 -0.046  0.093 -0.004 -0.002  0.007
  0.013 -0.004  0.082  0.008  0.026
  0.008 -0.002  0.008  0.088  0.041
 -0.003  0.007  0.026  0.041  0.159
   spin  2
    eigenvalues: 
  0.472  0.474  0.990  0.994  0.997
    eigenvectors:
  0.227  0.553  0.016  0.141  0.063
  0.043  0.159  0.040  0.712  0.045
  0.081  0.003  0.478  0.123  0.316
  0.154  0.028  0.452  0.000  0.367
  0.495  0.257  0.015  0.024  0.209
    occupations:
  0.588  0.206 -0.051 -0.034  0.021
  0.206  0.889  0.020  0.007 -0.029
 -0.051  0.020  0.949 -0.060 -0.119
 -0.034  0.007 -0.060  0.899 -0.189
  0.021 -0.029 -0.119 -0.189  0.602
atomic mag. moment =    -3.336974
N of occupied +U levels =   18.068755
 --- exit write_ns ---

     negative rho (up, down):  2.586E-03 2.586E-03
 --- in v_hubbard ---
Hubbard energy    0.1696
 -------

     total cpu time spent up to now is      200.3 secs

     total energy              =   -1459.84036106 Ry
     Harris-Foulkes estimate   =   -1458.76464996 Ry
     estimated scf accuracy    <       9.14164776 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    14.65 Bohr mag/cell

     iteration #  2     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  5.31E-03,  avg # of iterations =  3.3
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   4.22410  0.86691  5.09101
   spin  1
    eigenvalues: 
  0.617  0.624  0.991  0.995  0.997
    eigenvectors:
  0.350  0.434  0.016  0.127  0.074
  0.072  0.126  0.034  0.697  0.071
  0.075  0.009  0.509  0.136  0.271
  0.125  0.051  0.432  0.005  0.387
  0.378  0.380  0.010  0.034  0.198
    occupations:
  0.702 -0.147  0.038 -0.025  0.013
 -0.147  0.921  0.015 -0.006  0.018
  0.038  0.015  0.962  0.042  0.086
 -0.025 -0.006  0.042  0.928 -0.134
  0.013  0.018  0.086 -0.134  0.711
   spin  2
    eigenvalues: 
  0.101  0.114  0.127  0.257  0.268
    eigenvectors:
  0.017  0.153  0.001  0.001  0.829
  0.000  0.816  0.025  0.003  0.155
  0.328  0.008  0.600  0.052  0.012
  0.473  0.017  0.373  0.132  0.005
  0.181  0.006  0.002  0.812  0.000
    occupations:
  0.242  0.055 -0.016  0.009 -0.005
  0.055  0.138 -0.003  0.002 -0.008
 -0.016 -0.003  0.127 -0.002 -0.033
  0.009  0.002 -0.002  0.132  0.050
 -0.005 -0.008 -0.033  0.050  0.228
atomic mag. moment =     3.357194
atom    6   Tr[ns(na)] (up, down, total) =   0.86668  4.22389  5.09058
   spin  1
    eigenvalues: 
  0.101  0.114  0.127  0.257  0.268
    eigenvectors:
  0.017  0.153  0.001  0.001  0.829
  0.000  0.816  0.025  0.003  0.155
  0.326  0.008  0.602  0.052  0.012
  0.475  0.016  0.371  0.132  0.005
  0.181  0.006  0.002  0.812  0.000
    occupations:
  0.242 -0.056 -0.015  0.009  0.005
 -0.056  0.138  0.003 -0.002 -0.008
 -0.015  0.003  0.127 -0.002  0.033
  0.009 -0.002 -0.002  0.132 -0.050
  0.005 -0.008  0.033 -0.050  0.228
   spin  2
    eigenvalues: 
  0.617  0.624  0.991  0.995  0.997
    eigenvectors:
  0.349  0.434  0.016  0.126  0.075
  0.072  0.126  0.034  0.693  0.075
  0.075  0.009  0.509  0.140  0.268
  0.125  0.051  0.432  0.006  0.386
  0.378  0.380  0.010  0.035  0.196
    occupations:
  0.702  0.147  0.038 -0.025 -0.013
  0.147  0.921 -0.015  0.006  0.018
  0.038 -0.015  0.962  0.042 -0.086
 -0.025  0.006  0.042  0.928  0.134
 -0.013  0.018 -0.086  0.134  0.711
atomic mag. moment =    -3.357207
atom    7   Tr[ns(na)] (up, down, total) =   4.22410  0.86691  5.09101
   spin  1
    eigenvalues: 
  0.617  0.624  0.991  0.995  0.997
    eigenvectors:
  0.350  0.434  0.016  0.127  0.074
  0.072  0.126  0.034  0.697  0.071
  0.075  0.009  0.509  0.136  0.271
  0.125  0.051  0.432  0.005  0.387
  0.378  0.380  0.010  0.034  0.198
    occupations:
  0.702 -0.147 -0.038 -0.025 -0.013
 -0.147  0.921 -0.015 -0.006 -0.018
 -0.038 -0.015  0.962 -0.042  0.086
 -0.025 -0.006 -0.042  0.928  0.134
 -0.013 -0.018  0.086  0.134  0.711
   spin  2
    eigenvalues: 
  0.101  0.114  0.127  0.257  0.268
    eigenvectors:
  0.017  0.153  0.001  0.001  0.829
  0.000  0.816  0.025  0.003  0.155
  0.328  0.008  0.600  0.052  0.012
  0.473  0.017  0.373  0.132  0.005
  0.181  0.006  0.002  0.812  0.000
    occupations:
  0.242  0.055  0.016  0.009  0.005
  0.055  0.138  0.003  0.002  0.008
  0.016  0.003  0.127  0.002 -0.033
  0.009  0.002  0.002  0.132 -0.050
  0.005  0.008 -0.033 -0.050  0.228
atomic mag. moment =     3.357194
atom    8   Tr[ns(na)] (up, down, total) =   0.86668  4.22389  5.09058
   spin  1
    eigenvalues: 
  0.101  0.114  0.127  0.257  0.268
    eigenvectors:
  0.017  0.153  0.001  0.001  0.829
  0.000  0.816  0.025  0.003  0.155
  0.326  0.008  0.602  0.052  0.012
  0.475  0.016  0.371  0.132  0.005
  0.181  0.006  0.002  0.812  0.000
    occupations:
  0.242 -0.056  0.015  0.009 -0.005
 -0.056  0.138 -0.003 -0.002  0.008
  0.015 -0.003  0.127  0.002  0.033
  0.009 -0.002  0.002  0.132  0.050
 -0.005  0.008  0.033  0.050  0.228
   spin  2
    eigenvalues: 
  0.617  0.624  0.991  0.995  0.997
    eigenvectors:
  0.349  0.434  0.016  0.126  0.075
  0.072  0.126  0.034  0.693  0.075
  0.075  0.009  0.509  0.140  0.268
  0.125  0.051  0.432  0.006  0.386
  0.378  0.380  0.010  0.035  0.196
    occupations:
  0.702  0.147 -0.038 -0.025  0.013
  0.147  0.921  0.015  0.006 -0.018
 -0.038  0.015  0.962 -0.042 -0.086
 -0.025  0.006 -0.042  0.928 -0.134
  0.013 -0.018 -0.086 -0.134  0.711
atomic mag. moment =    -3.357207
N of occupied +U levels =   20.363178
 --- exit write_ns ---

     negative rho (up, down):  4.053E-03 4.053E-03
 --- in v_hubbard ---
Hubbard energy    0.1817
 -------

     total cpu time spent up to now is      390.3 secs

     total energy              =   -1461.62820626 Ry
     Harris-Foulkes estimate   =   -1461.07485327 Ry
     estimated scf accuracy    <       2.54378317 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    15.28 Bohr mag/cell

     iteration #  3     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  1.48E-03,  avg # of iterations =  3.4
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   3.85458  0.85641  4.71099
   spin  1
    eigenvalues: 
  0.451  0.459  0.974  0.982  0.988
    eigenvectors:
  0.059  0.717  0.025  0.131  0.068
  0.007  0.199  0.070  0.675  0.049
  0.085  0.001  0.422  0.169  0.322
  0.179  0.002  0.463  0.002  0.353
  0.670  0.081  0.020  0.022  0.207
    occupations:
  0.576 -0.208  0.054 -0.036  0.022
 -0.208  0.874  0.022 -0.005  0.030
  0.054  0.022  0.935  0.059  0.124
 -0.036 -0.005  0.059  0.884 -0.192
  0.022  0.030  0.124 -0.192  0.585
   spin  2
    eigenvalues: 
  0.101  0.111  0.122  0.256  0.266
    eigenvectors:
  0.016  0.164  0.000  0.001  0.819
  0.000  0.816  0.017  0.004  0.162
  0.301  0.006  0.625  0.055  0.013
  0.488  0.010  0.357  0.140  0.006
  0.194  0.005  0.001  0.800  0.000
    occupations:
  0.238  0.057 -0.016  0.009 -0.005
  0.057  0.137 -0.004  0.002 -0.008
 -0.016 -0.004  0.125 -0.005 -0.033
  0.009  0.002 -0.005  0.131  0.051
 -0.005 -0.008 -0.033  0.051  0.225
atomic mag. moment =     2.998179
atom    6   Tr[ns(na)] (up, down, total) =   0.85639  3.85496  4.71135
   spin  1
    eigenvalues: 
  0.101  0.111  0.122  0.256  0.266
    eigenvectors:
  0.016  0.164  0.000  0.002  0.818
  0.000  0.816  0.017  0.004  0.163
  0.299  0.006  0.627  0.055  0.013
  0.491  0.009  0.355  0.140  0.006
  0.195  0.005  0.001  0.800  0.000
    occupations:
  0.238 -0.057 -0.016  0.009  0.005
 -0.057  0.137  0.004 -0.002 -0.008
 -0.016  0.004  0.125 -0.005  0.033
  0.009 -0.002 -0.005  0.131 -0.051
  0.005 -0.008  0.033 -0.051  0.225
   spin  2
    eigenvalues: 
  0.451  0.459  0.974  0.982  0.988
    eigenvectors:
  0.059  0.717  0.024  0.132  0.068
  0.007  0.199  0.070  0.676  0.049
  0.085  0.001  0.421  0.169  0.325
  0.180  0.002  0.465  0.002  0.351
  0.670  0.081  0.020  0.022  0.207
    occupations:
  0.576  0.208  0.054 -0.036 -0.022
  0.208  0.875 -0.022  0.005  0.030
  0.054 -0.022  0.935  0.059 -0.124
 -0.036  0.005  0.059  0.884  0.192
 -0.022  0.030 -0.124  0.192  0.585
atomic mag. moment =    -2.998574
atom    7   Tr[ns(na)] (up, down, total) =   3.85458  0.85641  4.71099
   spin  1
    eigenvalues: 
  0.451  0.459  0.974  0.982  0.988
    eigenvectors:
  0.059  0.717  0.025  0.131  0.068
  0.007  0.199  0.070  0.675  0.049
  0.085  0.001  0.422  0.169  0.322
  0.179  0.002  0.463  0.002  0.353
  0.670  0.081  0.020  0.022  0.207
    occupations:
  0.576 -0.208 -0.054 -0.036 -0.022
 -0.208  0.874 -0.022 -0.005 -0.030
 -0.054 -0.022  0.935 -0.059  0.124
 -0.036 -0.005 -0.059  0.884  0.192
 -0.022 -0.030  0.124  0.192  0.585
   spin  2
    eigenvalues: 
  0.101  0.111  0.122  0.256  0.266
    eigenvectors:
  0.016  0.164  0.000  0.001  0.819
  0.000  0.816  0.017  0.004  0.162
  0.301  0.006  0.625  0.055  0.013
  0.488  0.010  0.357  0.140  0.006
  0.194  0.005  0.001  0.800  0.000
    occupations:
  0.238  0.057  0.016  0.009  0.005
  0.057  0.137  0.004  0.002  0.008
  0.016  0.004  0.125  0.005 -0.033
  0.009  0.002  0.005  0.131 -0.051
  0.005  0.008 -0.033 -0.051  0.225
atomic mag. moment =     2.998179
atom    8   Tr[ns(na)] (up, down, total) =   0.85639  3.85496  4.71135
   spin  1
    eigenvalues: 
  0.101  0.111  0.122  0.256  0.266
    eigenvectors:
  0.016  0.164  0.000  0.002  0.818
  0.000  0.816  0.017  0.004  0.163
  0.299  0.006  0.627  0.055  0.013
  0.491  0.009  0.355  0.140  0.006
  0.195  0.005  0.001  0.800  0.000
    occupations:
  0.238 -0.057  0.016  0.009 -0.005
 -0.057  0.137 -0.004 -0.002  0.008
  0.016 -0.004  0.125  0.005  0.033
  0.009 -0.002  0.005  0.131  0.051
 -0.005  0.008  0.033  0.051  0.225
   spin  2
    eigenvalues: 
  0.451  0.459  0.974  0.982  0.988
    eigenvectors:
  0.059  0.717  0.024  0.132  0.068
  0.007  0.199  0.070  0.676  0.049
  0.085  0.001  0.421  0.169  0.325
  0.180  0.002  0.465  0.002  0.351
  0.670  0.081  0.020  0.022  0.207
    occupations:
  0.576  0.208 -0.054 -0.036  0.022
  0.208  0.875  0.022  0.005 -0.030
 -0.054  0.022  0.935 -0.059 -0.124
 -0.036  0.005 -0.059  0.884 -0.192
  0.022 -0.030 -0.124 -0.192  0.585
atomic mag. moment =    -2.998574
N of occupied +U levels =   18.844679
 --- exit write_ns ---

     negative rho (up, down):  6.921E-03 6.920E-03
 --- in v_hubbard ---
Hubbard energy    0.1991
 -------

     total cpu time spent up to now is      582.2 secs

     total energy              =   -1462.60804797 Ry
     Harris-Foulkes estimate   =   -1462.09280856 Ry
     estimated scf accuracy    <       1.30586030 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    13.23 Bohr mag/cell

     iteration #  4     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  7.59E-04,  avg # of iterations =  3.7
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   3.91255  1.02584  4.93839
   spin  1
    eigenvalues: 
  0.476  0.483  0.979  0.985  0.990
    eigenvectors:
  0.098  0.685  0.017  0.133  0.068
  0.014  0.185  0.040  0.706  0.055
  0.084  0.000  0.473  0.134  0.309
  0.169  0.007  0.456  0.001  0.368
  0.636  0.123  0.014  0.027  0.200
    occupations:
  0.591 -0.198  0.051 -0.033  0.020
 -0.198  0.885  0.020 -0.006  0.027
  0.051  0.020  0.941  0.055  0.117
 -0.033 -0.006  0.055  0.895 -0.182
  0.020  0.027  0.117 -0.182  0.601
   spin  2
    eigenvalues: 
  0.121  0.136  0.152  0.303  0.314
    eigenvectors:
  0.019  0.149  0.000  0.001  0.832
  0.002  0.831  0.012  0.003  0.152
  0.300  0.001  0.635  0.052  0.011
  0.496  0.013  0.352  0.135  0.005
  0.184  0.006  0.001  0.809  0.000
    occupations:
  0.284  0.064 -0.017  0.011 -0.006
  0.064  0.163 -0.004  0.002 -0.008
 -0.017 -0.004  0.152 -0.002 -0.038
  0.011  0.002 -0.002  0.158  0.059
 -0.006 -0.008 -0.038  0.059  0.269
atomic mag. moment =     2.886716
atom    6   Tr[ns(na)] (up, down, total) =   1.02561  3.91218  4.93779
   spin  1
    eigenvalues: 
  0.121  0.135  0.152  0.303  0.314
    eigenvectors:
  0.019  0.149  0.000  0.001  0.831
  0.002  0.831  0.012  0.003  0.152
  0.299  0.002  0.636  0.052  0.012
  0.497  0.013  0.350  0.135  0.005
  0.184  0.006  0.001  0.809  0.000
    occupations:
  0.284 -0.064 -0.017  0.011  0.006
 -0.064  0.163  0.004 -0.002 -0.008
 -0.017  0.004  0.152 -0.002  0.038
  0.011 -0.002 -0.002  0.158 -0.059
  0.006 -0.008  0.038 -0.059  0.269
   spin  2
    eigenvalues: 
  0.476  0.483  0.979  0.985  0.990
    eigenvectors:
  0.099  0.684  0.016  0.132  0.068
  0.014  0.185  0.040  0.705  0.056
  0.084  0.000  0.469  0.135  0.312
  0.169  0.007  0.459  0.001  0.365
  0.635  0.124  0.015  0.027  0.200
    occupations:
  0.591  0.198  0.051 -0.033 -0.020
  0.198  0.885 -0.020  0.006  0.027
  0.051 -0.020  0.941  0.055 -0.117
 -0.033  0.006  0.055  0.894  0.182
 -0.020  0.027 -0.117  0.182  0.600
atomic mag. moment =    -2.886564
atom    7   Tr[ns(na)] (up, down, total) =   3.91255  1.02584  4.93839
   spin  1
    eigenvalues: 
  0.476  0.483  0.979  0.985  0.990
    eigenvectors:
  0.098  0.685  0.017  0.133  0.068
  0.014  0.185  0.040  0.706  0.055
  0.084  0.000  0.473  0.134  0.309
  0.169  0.007  0.456  0.001  0.368
  0.636  0.123  0.014  0.027  0.200
    occupations:
  0.591 -0.198 -0.051 -0.033 -0.020
 -0.198  0.885 -0.020 -0.006 -0.027
 -0.051 -0.020  0.941 -0.055  0.117
 -0.033 -0.006 -0.055  0.895  0.182
 -0.020 -0.027  0.117  0.182  0.601
   spin  2
    eigenvalues: 
  0.121  0.136  0.152  0.303  0.314
    eigenvectors:
  0.019  0.149  0.000  0.001  0.832
  0.002  0.831  0.012  0.003  0.152
  0.300  0.001  0.635  0.052  0.011
  0.496  0.013  0.352  0.135  0.005
  0.184  0.006  0.001  0.809  0.000
    occupations:
  0.284  0.064  0.017  0.011  0.006
  0.064  0.163  0.004  0.002  0.008
  0.017  0.004  0.152  0.002 -0.038
  0.011  0.002  0.002  0.158 -0.059
  0.006  0.008 -0.038 -0.059  0.269
atomic mag. moment =     2.886716
atom    8   Tr[ns(na)] (up, down, total) =   1.02561  3.91218  4.93779
   spin  1
    eigenvalues: 
  0.121  0.135  0.152  0.303  0.314
    eigenvectors:
  0.019  0.149  0.000  0.001  0.831
  0.002  0.831  0.012  0.003  0.152
  0.299  0.002  0.636  0.052  0.012
  0.497  0.013  0.350  0.135  0.005
  0.184  0.006  0.001  0.809  0.000
    occupations:
  0.284 -0.064  0.017  0.011 -0.006
 -0.064  0.163 -0.004 -0.002  0.008
  0.017 -0.004  0.152  0.002  0.038
  0.011 -0.002  0.002  0.158  0.059
 -0.006  0.008  0.038  0.059  0.269
   spin  2
    eigenvalues: 
  0.476  0.483  0.979  0.985  0.990
    eigenvectors:
  0.099  0.684  0.016  0.132  0.068
  0.014  0.185  0.040  0.705  0.056
  0.084  0.000  0.469  0.135  0.312
  0.169  0.007  0.459  0.001  0.365
  0.635  0.124  0.015  0.027  0.200
    occupations:
  0.591  0.198 -0.051 -0.033  0.020
  0.198  0.885  0.020  0.006 -0.027
 -0.051  0.020  0.941 -0.055 -0.117
 -0.033  0.006 -0.055  0.894 -0.182
  0.020 -0.027 -0.117 -0.182  0.600
atomic mag. moment =    -2.886564
N of occupied +U levels =   19.752359
 --- exit write_ns ---

     negative rho (up, down):  7.575E-03 7.574E-03
 --- in v_hubbard ---
Hubbard energy    0.2129
 -------

     total cpu time spent up to now is      801.3 secs

     total energy              =   -1462.78508875 Ry
     Harris-Foulkes estimate   =   -1462.72562202 Ry
     estimated scf accuracy    <       0.09782597 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    12.80 Bohr mag/cell

     iteration #  5     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  5.69E-05,  avg # of iterations =  6.9
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   3.82916  1.22061  5.04977
   spin  1
    eigenvalues: 
  0.450  0.458  0.966  0.975  0.981
    eigenvectors:
  0.049  0.736  0.007  0.146  0.062
  0.005  0.191  0.010  0.749  0.044
  0.081  0.002  0.507  0.072  0.338
  0.172  0.001  0.465  0.007  0.355
  0.692  0.069  0.012  0.026  0.201
    occupations:
  0.568 -0.203  0.053 -0.034  0.021
 -0.203  0.873  0.020 -0.006  0.028
  0.053  0.020  0.929  0.055  0.121
 -0.034 -0.006  0.055  0.882 -0.187
  0.021  0.028  0.121 -0.187  0.577
   spin  2
    eigenvalues: 
  0.156  0.172  0.191  0.346  0.355
    eigenvectors:
  0.018  0.130  0.000  0.000  0.851
  0.006  0.852  0.004  0.001  0.138
  0.297  0.000  0.645  0.050  0.008
  0.514  0.012  0.350  0.121  0.003
  0.165  0.006  0.001  0.828  0.000
    occupations:
  0.328  0.063 -0.015  0.011 -0.006
  0.063  0.198 -0.003  0.002 -0.006
 -0.015 -0.003  0.190  0.001 -0.039
  0.011  0.002  0.001  0.192  0.059
 -0.006 -0.006 -0.039  0.059  0.313
atomic mag. moment =     2.608551
atom    6   Tr[ns(na)] (up, down, total) =   1.21979  3.82958  5.04938
   spin  1
    eigenvalues: 
  0.156  0.172  0.191  0.345  0.355
    eigenvectors:
  0.018  0.131  0.000  0.000  0.851
  0.005  0.852  0.004  0.001  0.138
  0.298  0.000  0.644  0.050  0.008
  0.514  0.011  0.351  0.121  0.003
  0.165  0.006  0.001  0.828  0.001
    occupations:
  0.328 -0.063 -0.015  0.011  0.006
 -0.063  0.197  0.003 -0.002 -0.006
 -0.015  0.003  0.190  0.001  0.039
  0.011 -0.002  0.001  0.192 -0.059
  0.006 -0.006  0.039 -0.059  0.313
   spin  2
    eigenvalues: 
  0.450  0.458  0.966  0.975  0.981
    eigenvectors:
  0.051  0.735  0.006  0.147  0.061
  0.005  0.191  0.010  0.751  0.043
  0.081  0.002  0.508  0.070  0.339
  0.172  0.001  0.464  0.007  0.356
  0.691  0.071  0.012  0.025  0.201
    occupations:
  0.568  0.203  0.052 -0.034 -0.021
  0.203  0.873 -0.020  0.006  0.028
  0.052 -0.020  0.929  0.055 -0.121
 -0.034  0.006  0.055  0.882  0.187
 -0.021  0.028 -0.121  0.187  0.577
atomic mag. moment =    -2.609788
atom    7   Tr[ns(na)] (up, down, total) =   3.82916  1.22061  5.04977
   spin  1
    eigenvalues: 
  0.450  0.458  0.966  0.975  0.981
    eigenvectors:
  0.049  0.736  0.007  0.146  0.062
  0.005  0.191  0.010  0.749  0.044
  0.081  0.002  0.507  0.072  0.338
  0.172  0.001  0.465  0.007  0.355
  0.692  0.069  0.012  0.026  0.201
    occupations:
  0.568 -0.203 -0.053 -0.034 -0.021
 -0.203  0.873 -0.020 -0.006 -0.028
 -0.053 -0.020  0.929 -0.055  0.121
 -0.034 -0.006 -0.055  0.882  0.187
 -0.021 -0.028  0.121  0.187  0.577
   spin  2
    eigenvalues: 
  0.156  0.172  0.191  0.346  0.355
    eigenvectors:
  0.018  0.130  0.000  0.000  0.851
  0.006  0.852  0.004  0.001  0.138
  0.297  0.000  0.645  0.050  0.008
  0.514  0.012  0.350  0.121  0.003
  0.165  0.006  0.001  0.828  0.000
    occupations:
  0.328  0.063  0.015  0.011  0.006
  0.063  0.198  0.003  0.002  0.006
  0.015  0.003  0.190 -0.001 -0.039
  0.011  0.002 -0.001  0.192 -0.059
  0.006  0.006 -0.039 -0.059  0.313
atomic mag. moment =     2.608551
atom    8   Tr[ns(na)] (up, down, total) =   1.21979  3.82958  5.04938
   spin  1
    eigenvalues: 
  0.156  0.172  0.191  0.345  0.355
    eigenvectors:
  0.018  0.131  0.000  0.000  0.851
  0.005  0.852  0.004  0.001  0.138
  0.298  0.000  0.644  0.050  0.008
  0.514  0.011  0.351  0.121  0.003
  0.165  0.006  0.001  0.828  0.001
    occupations:
  0.328 -0.063  0.015  0.011 -0.006
 -0.063  0.197 -0.003 -0.002  0.006
  0.015 -0.003  0.190 -0.001  0.039
  0.011 -0.002 -0.001  0.192  0.059
 -0.006  0.006  0.039  0.059  0.313
   spin  2
    eigenvalues: 
  0.450  0.458  0.966  0.975  0.981
    eigenvectors:
  0.051  0.735  0.006  0.147  0.061
  0.005  0.191  0.010  0.751  0.043
  0.081  0.002  0.508  0.070  0.339
  0.172  0.001  0.464  0.007  0.356
  0.691  0.071  0.012  0.025  0.201
    occupations:
  0.568  0.203 -0.052 -0.034  0.021
  0.203  0.873  0.020  0.006 -0.028
 -0.052  0.020  0.929 -0.055 -0.121
 -0.034  0.006 -0.055  0.882 -0.187
  0.021 -0.028 -0.121 -0.187  0.577
atomic mag. moment =    -2.609788
N of occupied +U levels =   20.198291
 --- exit write_ns ---

     negative rho (up, down):  6.788E-03 6.785E-03
 --- in v_hubbard ---
Hubbard energy    0.2262
 -------

     total cpu time spent up to now is     1224.1 secs

     total energy              =   -1462.84894736 Ry
     Harris-Foulkes estimate   =   -1462.84778904 Ry
     estimated scf accuracy    <       0.02039187 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    11.58 Bohr mag/cell

     iteration #  6     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  1.19E-05,  avg # of iterations =  4.0
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   3.79027  1.23369  5.02396
   spin  1
    eigenvalues: 
  0.436  0.443  0.962  0.971  0.978
    eigenvectors:
  0.037  0.750  0.006  0.143  0.064
  0.003  0.192  0.010  0.747  0.049
  0.080  0.003  0.506  0.075  0.337
  0.172  0.000  0.466  0.008  0.353
  0.707  0.055  0.012  0.027  0.198
    occupations:
  0.556 -0.206  0.053 -0.035  0.021
 -0.206  0.868  0.020 -0.006  0.028
  0.053  0.020  0.925  0.056  0.123
 -0.035 -0.006  0.056  0.877 -0.191
  0.021  0.028  0.123 -0.191  0.564
   spin  2
    eigenvalues: 
  0.158  0.173  0.192  0.350  0.360
    eigenvectors:
  0.019  0.132  0.000  0.000  0.849
  0.006  0.850  0.003  0.001  0.140
  0.295  0.001  0.646  0.050  0.008
  0.515  0.011  0.349  0.121  0.003
  0.165  0.006  0.001  0.827  0.001
    occupations:
  0.331  0.064 -0.016  0.011 -0.006
  0.064  0.199 -0.003  0.002 -0.007
 -0.016 -0.003  0.192  0.000 -0.040
  0.011  0.002  0.000  0.194  0.060
 -0.006 -0.007 -0.040  0.060  0.317
atomic mag. moment =     2.556580
atom    6   Tr[ns(na)] (up, down, total) =   1.23350  3.79046  5.02396
   spin  1
    eigenvalues: 
  0.158  0.173  0.192  0.350  0.359
    eigenvectors:
  0.019  0.132  0.000  0.000  0.849
  0.006  0.850  0.003  0.001  0.140
  0.295  0.001  0.646  0.050  0.008
  0.515  0.011  0.349  0.121  0.003
  0.165  0.006  0.001  0.827  0.000
    occupations:
  0.331 -0.064 -0.016  0.011  0.006
 -0.064  0.199  0.003 -0.002 -0.007
 -0.016  0.003  0.192  0.000  0.039
  0.011 -0.002  0.000  0.194 -0.060
  0.006 -0.007  0.039 -0.060  0.317
   spin  2
    eigenvalues: 
  0.436  0.443  0.962  0.971  0.978
    eigenvectors:
  0.037  0.750  0.006  0.143  0.064
  0.003  0.192  0.009  0.747  0.048
  0.080  0.003  0.506  0.074  0.337
  0.172  0.000  0.466  0.008  0.353
  0.708  0.055  0.012  0.027  0.198
    occupations:
  0.556  0.206  0.053 -0.035 -0.021
  0.206  0.868 -0.020  0.006  0.028
  0.053 -0.020  0.925  0.056 -0.123
 -0.035  0.006  0.056  0.877  0.191
 -0.021  0.028 -0.123  0.191  0.565
atomic mag. moment =    -2.556965
atom    7   Tr[ns(na)] (up, down, total) =   3.79027  1.23369  5.02396
   spin  1
    eigenvalues: 
  0.436  0.443  0.962  0.971  0.978
    eigenvectors:
  0.037  0.750  0.006  0.143  0.064
  0.003  0.192  0.010  0.747  0.049
  0.080  0.003  0.506  0.075  0.337
  0.172  0.000  0.466  0.008  0.353
  0.707  0.055  0.012  0.027  0.198
    occupations:
  0.556 -0.206 -0.053 -0.035 -0.021
 -0.206  0.868 -0.020 -0.006 -0.028
 -0.053 -0.020  0.925 -0.056  0.123
 -0.035 -0.006 -0.056  0.877  0.191
 -0.021 -0.028  0.123  0.191  0.564
   spin  2
    eigenvalues: 
  0.158  0.173  0.192  0.350  0.360
    eigenvectors:
  0.019  0.132  0.000  0.000  0.849
  0.006  0.850  0.003  0.001  0.140
  0.295  0.001  0.646  0.050  0.008
  0.515  0.011  0.349  0.121  0.003
  0.165  0.006  0.001  0.827  0.001
    occupations:
  0.331  0.064  0.016  0.011  0.006
  0.064  0.199  0.003  0.002  0.007
  0.016  0.003  0.192 -0.000 -0.040
  0.011  0.002 -0.000  0.194 -0.060
  0.006  0.007 -0.040 -0.060  0.317
atomic mag. moment =     2.556580
atom    8   Tr[ns(na)] (up, down, total) =   1.23350  3.79046  5.02396
   spin  1
    eigenvalues: 
  0.158  0.173  0.192  0.350  0.359
    eigenvectors:
  0.019  0.132  0.000  0.000  0.849
  0.006  0.850  0.003  0.001  0.140
  0.295  0.001  0.646  0.050  0.008
  0.515  0.011  0.349  0.121  0.003
  0.165  0.006  0.001  0.827  0.000
    occupations:
  0.331 -0.064  0.016  0.011 -0.006
 -0.064  0.199 -0.003 -0.002  0.007
  0.016 -0.003  0.192 -0.000  0.039
  0.011 -0.002 -0.000  0.194  0.060
 -0.006  0.007  0.039  0.060  0.317
   spin  2
    eigenvalues: 
  0.436  0.443  0.962  0.971  0.978
    eigenvectors:
  0.037  0.750  0.006  0.143  0.064
  0.003  0.192  0.009  0.747  0.048
  0.080  0.003  0.506  0.074  0.337
  0.172  0.000  0.466  0.008  0.353
  0.708  0.055  0.012  0.027  0.198
    occupations:
  0.556  0.206 -0.053 -0.035  0.021
  0.206  0.868  0.020  0.006 -0.028
 -0.053  0.020  0.925 -0.056 -0.123
 -0.035  0.006 -0.056  0.877 -0.191
  0.021 -0.028 -0.123 -0.191  0.565
atomic mag. moment =    -2.556965
N of occupied +U levels =   20.095823
 --- exit write_ns ---

     negative rho (up, down):  5.366E-03 5.364E-03
 --- in v_hubbard ---
Hubbard energy    0.2422
 -------

     total cpu time spent up to now is     1461.3 secs

     total energy              =   -1462.85514443 Ry
     Harris-Foulkes estimate   =   -1462.85361144 Ry
     estimated scf accuracy    <       0.00397854 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.31 Bohr mag/cell

     iteration #  7     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  2.31E-06,  avg # of iterations =  4.6
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   3.77239  1.24429  5.01667
   spin  1
    eigenvalues: 
  0.429  0.437  0.960  0.970  0.977
    eigenvectors:
  0.032  0.756  0.005  0.143  0.064
  0.002  0.192  0.007  0.749  0.049
  0.079  0.003  0.510  0.070  0.338
  0.172  0.000  0.466  0.010  0.352
  0.715  0.049  0.012  0.028  0.197
    occupations:
  0.550 -0.208  0.054 -0.035  0.022
 -0.208  0.866  0.020 -0.006  0.028
  0.054  0.020  0.923  0.056  0.125
 -0.035 -0.006  0.056  0.875 -0.192
  0.022  0.028  0.125 -0.192  0.558
   spin  2
    eigenvalues: 
  0.159  0.174  0.194  0.354  0.363
    eigenvectors:
  0.019  0.131  0.000  0.000  0.850
  0.007  0.849  0.003  0.001  0.140
  0.296  0.001  0.646  0.051  0.007
  0.514  0.013  0.350  0.121  0.002
  0.164  0.007  0.001  0.827  0.002
    occupations:
  0.334  0.065 -0.016  0.011 -0.006
  0.065  0.201 -0.003  0.002 -0.007
 -0.016 -0.003  0.193  0.001 -0.040
  0.011  0.002  0.001  0.196  0.061
 -0.006 -0.007 -0.040  0.061  0.321
atomic mag. moment =     2.528095
atom    6   Tr[ns(na)] (up, down, total) =   1.24411  3.77239  5.01650
   spin  1
    eigenvalues: 
  0.159  0.174  0.194  0.354  0.363
    eigenvectors:
  0.019  0.131  0.000  0.000  0.850
  0.007  0.849  0.003  0.001  0.140
  0.296  0.001  0.646  0.051  0.007
  0.514  0.013  0.350  0.121  0.002
  0.164  0.007  0.001  0.827  0.002
    occupations:
  0.334 -0.065 -0.016  0.011  0.006
 -0.065  0.201  0.003 -0.002 -0.007
 -0.016  0.003  0.193  0.001  0.040
  0.011 -0.002  0.001  0.196 -0.061
  0.006 -0.007  0.040 -0.061  0.321
   spin  2
    eigenvalues: 
  0.429  0.437  0.960  0.970  0.977
    eigenvectors:
  0.033  0.755  0.005  0.143  0.064
  0.003  0.192  0.007  0.750  0.049
  0.079  0.003  0.510  0.070  0.338
  0.172  0.000  0.466  0.010  0.352
  0.714  0.050  0.012  0.028  0.198
    occupations:
  0.550  0.208  0.054 -0.035 -0.022
  0.208  0.866 -0.020  0.006  0.028
  0.054 -0.020  0.923  0.056 -0.125
 -0.035  0.006  0.056  0.875  0.192
 -0.022  0.028 -0.125  0.192  0.558
atomic mag. moment =    -2.528282
atom    7   Tr[ns(na)] (up, down, total) =   3.77239  1.24429  5.01667
   spin  1
    eigenvalues: 
  0.429  0.437  0.960  0.970  0.977
    eigenvectors:
  0.032  0.756  0.005  0.143  0.064
  0.002  0.192  0.007  0.749  0.049
  0.079  0.003  0.510  0.070  0.338
  0.172  0.000  0.466  0.010  0.352
  0.715  0.049  0.012  0.028  0.197
    occupations:
  0.550 -0.208 -0.054 -0.035 -0.022
 -0.208  0.866 -0.020 -0.006 -0.028
 -0.054 -0.020  0.923 -0.056  0.125
 -0.035 -0.006 -0.056  0.875  0.192
 -0.022 -0.028  0.125  0.192  0.558
   spin  2
    eigenvalues: 
  0.159  0.174  0.194  0.354  0.363
    eigenvectors:
  0.019  0.131  0.000  0.000  0.850
  0.007  0.849  0.003  0.001  0.140
  0.296  0.001  0.646  0.051  0.007
  0.514  0.013  0.350  0.121  0.002
  0.164  0.007  0.001  0.827  0.002
    occupations:
  0.334  0.065  0.016  0.011  0.006
  0.065  0.201  0.003  0.002  0.007
  0.016  0.003  0.193 -0.001 -0.040
  0.011  0.002 -0.001  0.196 -0.061
  0.006  0.007 -0.040 -0.061  0.321
atomic mag. moment =     2.528095
atom    8   Tr[ns(na)] (up, down, total) =   1.24411  3.77239  5.01650
   spin  1
    eigenvalues: 
  0.159  0.174  0.194  0.354  0.363
    eigenvectors:
  0.019  0.131  0.000  0.000  0.850
  0.007  0.849  0.003  0.001  0.140
  0.296  0.001  0.646  0.051  0.007
  0.514  0.013  0.350  0.121  0.002
  0.164  0.007  0.001  0.827  0.002
    occupations:
  0.334 -0.065  0.016  0.011 -0.006
 -0.065  0.201 -0.003 -0.002  0.007
  0.016 -0.003  0.193 -0.001  0.040
  0.011 -0.002 -0.001  0.196  0.061
 -0.006  0.007  0.040  0.061  0.321
   spin  2
    eigenvalues: 
  0.429  0.437  0.960  0.970  0.977
    eigenvectors:
  0.033  0.755  0.005  0.143  0.064
  0.003  0.192  0.007  0.750  0.049
  0.079  0.003  0.510  0.070  0.338
  0.172  0.000  0.466  0.010  0.352
  0.714  0.050  0.012  0.028  0.198
    occupations:
  0.550  0.208 -0.054 -0.035  0.022
  0.208  0.866  0.020  0.006 -0.028
 -0.054  0.020  0.923 -0.056 -0.125
 -0.035  0.006 -0.056  0.875 -0.192
  0.022 -0.028 -0.125 -0.192  0.558
atomic mag. moment =    -2.528282
N of occupied +U levels =   20.066343
 --- exit write_ns ---

     negative rho (up, down):  5.234E-03 5.232E-03
 --- in v_hubbard ---
Hubbard energy    0.2434
 -------

     total cpu time spent up to now is     1740.9 secs

     total energy              =   -1462.85623380 Ry
     Harris-Foulkes estimate   =   -1462.85647276 Ry
     estimated scf accuracy    <       0.00063052 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    11.15 Bohr mag/cell

     iteration #  8     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  3.67E-07,  avg # of iterations =  4.5
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   3.77658  1.25332  5.02990
   spin  1
    eigenvalues: 
  0.431  0.438  0.961  0.970  0.977
    eigenvectors:
  0.033  0.755  0.005  0.143  0.063
  0.003  0.191  0.007  0.751  0.048
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.464  0.010  0.353
  0.714  0.050  0.011  0.027  0.198
    occupations:
  0.551 -0.207  0.054 -0.035  0.022
 -0.207  0.867  0.020 -0.006  0.028
  0.054  0.020  0.923  0.056  0.124
 -0.035 -0.006  0.056  0.875 -0.192
  0.022  0.028  0.124 -0.192  0.560
   spin  2
    eigenvalues: 
  0.160  0.176  0.196  0.356  0.366
    eigenvectors:
  0.019  0.130  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.514  0.012  0.351  0.121  0.002
  0.163  0.007  0.001  0.826  0.003
    occupations:
  0.337  0.065 -0.016  0.011 -0.006
  0.065  0.202 -0.003  0.002 -0.007
 -0.016 -0.003  0.194  0.001 -0.040
  0.011  0.002  0.001  0.197  0.061
 -0.006 -0.007 -0.040  0.061  0.323
atomic mag. moment =     2.523264
atom    6   Tr[ns(na)] (up, down, total) =   1.25347  3.77677  5.03024
   spin  1
    eigenvalues: 
  0.160  0.176  0.196  0.356  0.366
    eigenvectors:
  0.019  0.130  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.514  0.012  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.337 -0.065 -0.016  0.011  0.006
 -0.065  0.202  0.003 -0.002 -0.007
 -0.016  0.003  0.194  0.001  0.040
  0.011 -0.002  0.001  0.197 -0.061
  0.006 -0.007  0.040 -0.061  0.323
   spin  2
    eigenvalues: 
  0.431  0.439  0.961  0.970  0.977
    eigenvectors:
  0.033  0.756  0.005  0.143  0.063
  0.003  0.191  0.007  0.751  0.048
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.010  0.353
  0.714  0.050  0.011  0.027  0.198
    occupations:
  0.551  0.207  0.054 -0.035 -0.022
  0.207  0.867 -0.020  0.006  0.028
  0.054 -0.020  0.923  0.056 -0.124
 -0.035  0.006  0.056  0.875  0.192
 -0.022  0.028 -0.124  0.192  0.560
atomic mag. moment =    -2.523302
atom    7   Tr[ns(na)] (up, down, total) =   3.77658  1.25332  5.02990
   spin  1
    eigenvalues: 
  0.431  0.438  0.961  0.970  0.977
    eigenvectors:
  0.033  0.755  0.005  0.143  0.063
  0.003  0.191  0.007  0.751  0.048
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.464  0.010  0.353
  0.714  0.050  0.011  0.027  0.198
    occupations:
  0.551 -0.207 -0.054 -0.035 -0.022
 -0.207  0.867 -0.020 -0.006 -0.028
 -0.054 -0.020  0.923 -0.056  0.124
 -0.035 -0.006 -0.056  0.875  0.192
 -0.022 -0.028  0.124  0.192  0.560
   spin  2
    eigenvalues: 
  0.160  0.176  0.196  0.356  0.366
    eigenvectors:
  0.019  0.130  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.514  0.012  0.351  0.121  0.002
  0.163  0.007  0.001  0.826  0.003
    occupations:
  0.337  0.065  0.016  0.011  0.006
  0.065  0.202  0.003  0.002  0.007
  0.016  0.003  0.194 -0.001 -0.040
  0.011  0.002 -0.001  0.197 -0.061
  0.006  0.007 -0.040 -0.061  0.323
atomic mag. moment =     2.523264
atom    8   Tr[ns(na)] (up, down, total) =   1.25347  3.77677  5.03024
   spin  1
    eigenvalues: 
  0.160  0.176  0.196  0.356  0.366
    eigenvectors:
  0.019  0.130  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.514  0.012  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.337 -0.065  0.016  0.011 -0.006
 -0.065  0.202 -0.003 -0.002  0.007
  0.016 -0.003  0.194 -0.001  0.040
  0.011 -0.002 -0.001  0.197  0.061
 -0.006  0.007  0.040  0.061  0.323
   spin  2
    eigenvalues: 
  0.431  0.439  0.961  0.970  0.977
    eigenvectors:
  0.033  0.756  0.005  0.143  0.063
  0.003  0.191  0.007  0.751  0.048
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.010  0.353
  0.714  0.050  0.011  0.027  0.198
    occupations:
  0.551  0.207 -0.054 -0.035  0.022
  0.207  0.867  0.020  0.006 -0.028
 -0.054  0.020  0.923 -0.056 -0.124
 -0.035  0.006 -0.056  0.875 -0.192
  0.022 -0.028 -0.124 -0.192  0.560
atomic mag. moment =    -2.523302
N of occupied +U levels =   20.120282
 --- exit write_ns ---

     negative rho (up, down):  5.013E-03 5.014E-03
 --- in v_hubbard ---
Hubbard energy    0.2457
 -------

     total cpu time spent up to now is     2015.2 secs

     total energy              =   -1462.85667735 Ry
     Harris-Foulkes estimate   =   -1462.85668234 Ry
     estimated scf accuracy    <       0.00028486 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.13 Bohr mag/cell

     iteration #  9     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  1.66E-07,  avg # of iterations =  3.4
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   3.77192  1.25496  5.02688
   spin  1
    eigenvalues: 
  0.429  0.437  0.960  0.970  0.977
    eigenvectors:
  0.031  0.757  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.011  0.353
  0.716  0.048  0.011  0.028  0.197
    occupations:
  0.550 -0.208  0.054 -0.035  0.022
 -0.208  0.867  0.020 -0.006  0.028
  0.054  0.020  0.923  0.056  0.124
 -0.035 -0.006  0.056  0.875 -0.192
  0.022  0.028  0.124 -0.192  0.558
   spin  2
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.130  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.513  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.337  0.065 -0.016  0.011 -0.006
  0.065  0.202 -0.003  0.001 -0.007
 -0.016 -0.003  0.195  0.001 -0.040
  0.011  0.001  0.001  0.197  0.061
 -0.006 -0.007 -0.040  0.061  0.324
atomic mag. moment =     2.516965
atom    6   Tr[ns(na)] (up, down, total) =   1.25455  3.77160  5.02615
   spin  1
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.130  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.514  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.337 -0.065 -0.016  0.011  0.006
 -0.065  0.202  0.003 -0.002 -0.007
 -0.016  0.003  0.195  0.001  0.040
  0.011 -0.002  0.001  0.197 -0.061
  0.006 -0.007  0.040 -0.061  0.323
   spin  2
    eigenvalues: 
  0.429  0.437  0.960  0.969  0.977
    eigenvectors:
  0.031  0.757  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.011  0.353
  0.716  0.048  0.011  0.028  0.197
    occupations:
  0.550  0.208  0.054 -0.035 -0.022
  0.208  0.867 -0.020  0.006  0.028
  0.054 -0.020  0.923  0.056 -0.125
 -0.035  0.006  0.056  0.875  0.192
 -0.022  0.028 -0.125  0.192  0.558
atomic mag. moment =    -2.517053
atom    7   Tr[ns(na)] (up, down, total) =   3.77192  1.25496  5.02688
   spin  1
    eigenvalues: 
  0.429  0.437  0.960  0.970  0.977
    eigenvectors:
  0.031  0.757  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.011  0.353
  0.716  0.048  0.011  0.028  0.197
    occupations:
  0.550 -0.208 -0.054 -0.035 -0.022
 -0.208  0.867 -0.020 -0.006 -0.028
 -0.054 -0.020  0.923 -0.056  0.124
 -0.035 -0.006 -0.056  0.875  0.192
 -0.022 -0.028  0.124  0.192  0.558
   spin  2
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.130  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.513  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.337  0.065  0.016  0.011  0.006
  0.065  0.202  0.003  0.001  0.007
  0.016  0.003  0.195 -0.001 -0.040
  0.011  0.001 -0.001  0.197 -0.061
  0.006  0.007 -0.040 -0.061  0.324
atomic mag. moment =     2.516965
atom    8   Tr[ns(na)] (up, down, total) =   1.25455  3.77160  5.02615
   spin  1
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.130  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.514  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.337 -0.065  0.016  0.011 -0.006
 -0.065  0.202 -0.003 -0.002  0.007
  0.016 -0.003  0.195 -0.001  0.040
  0.011 -0.002 -0.001  0.197  0.061
 -0.006  0.007  0.040  0.061  0.323
   spin  2
    eigenvalues: 
  0.429  0.437  0.960  0.969  0.977
    eigenvectors:
  0.031  0.757  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.011  0.353
  0.716  0.048  0.011  0.028  0.197
    occupations:
  0.550  0.208 -0.054 -0.035  0.022
  0.208  0.867  0.020  0.006 -0.028
 -0.054  0.020  0.923 -0.056 -0.125
 -0.035  0.006 -0.056  0.875 -0.192
  0.022 -0.028 -0.125 -0.192  0.558
atomic mag. moment =    -2.517053
N of occupied +U levels =   20.106070
 --- exit write_ns ---

     negative rho (up, down):  4.988E-03 4.987E-03
 --- in v_hubbard ---
Hubbard energy    0.2460
 -------

     total cpu time spent up to now is     2210.6 secs

     total energy              =   -1462.85673967 Ry
     Harris-Foulkes estimate   =   -1462.85674254 Ry
     estimated scf accuracy    <       0.00001336 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.09 Bohr mag/cell

     iteration # 10     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     ethr =  7.77E-09,  avg # of iterations =  5.1
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   3.77027  1.25445  5.02471
   spin  1
    eigenvalues: 
  0.428  0.436  0.960  0.969  0.976
    eigenvectors:
  0.031  0.758  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.067  0.338
  0.172  0.000  0.465  0.011  0.353
  0.717  0.047  0.011  0.028  0.197
    occupations:
  0.549 -0.208  0.054 -0.035  0.022
 -0.208  0.866  0.020 -0.006  0.028
  0.054  0.020  0.923  0.056  0.125
 -0.035 -0.006  0.056  0.875 -0.192
  0.022  0.028  0.125 -0.192  0.558
   spin  2
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.130  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.513  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.337  0.066 -0.016  0.011 -0.006
  0.066  0.202 -0.003  0.002 -0.007
 -0.016 -0.003  0.194  0.001 -0.040
  0.011  0.002  0.001  0.197  0.061
 -0.006 -0.007 -0.040  0.061  0.324
atomic mag. moment =     2.515817
atom    6   Tr[ns(na)] (up, down, total) =   1.25527  3.77094  5.02621
   spin  1
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.129  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.513  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.338 -0.066 -0.016  0.011  0.006
 -0.066  0.202  0.003 -0.002 -0.007
 -0.016  0.003  0.195  0.001  0.040
  0.011 -0.002  0.001  0.197 -0.061
  0.006 -0.007  0.040 -0.061  0.324
   spin  2
    eigenvalues: 
  0.428  0.436  0.960  0.969  0.977
    eigenvectors:
  0.031  0.758  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.011  0.353
  0.716  0.048  0.011  0.028  0.197
    occupations:
  0.549  0.208  0.054 -0.035 -0.022
  0.208  0.866 -0.020  0.006  0.028
  0.054 -0.020  0.923  0.056 -0.125
 -0.035  0.006  0.056  0.875  0.192
 -0.022  0.028 -0.125  0.192  0.558
atomic mag. moment =    -2.515669
atom    7   Tr[ns(na)] (up, down, total) =   3.77027  1.25445  5.02471
   spin  1
    eigenvalues: 
  0.428  0.436  0.960  0.969  0.976
    eigenvectors:
  0.031  0.758  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.067  0.338
  0.172  0.000  0.465  0.011  0.353
  0.717  0.047  0.011  0.028  0.197
    occupations:
  0.549 -0.208 -0.054 -0.035 -0.022
 -0.208  0.866 -0.020 -0.006 -0.028
 -0.054 -0.020  0.923 -0.056  0.125
 -0.035 -0.006 -0.056  0.875  0.192
 -0.022 -0.028  0.125  0.192  0.558
   spin  2
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.130  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.513  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.337  0.066  0.016  0.011  0.006
  0.066  0.202  0.003  0.002  0.007
  0.016  0.003  0.194 -0.001 -0.040
  0.011  0.002 -0.001  0.197 -0.061
  0.006  0.007 -0.040 -0.061  0.324
atomic mag. moment =     2.515817
atom    8   Tr[ns(na)] (up, down, total) =   1.25527  3.77094  5.02621
   spin  1
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.129  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.513  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.338 -0.066  0.016  0.011 -0.006
 -0.066  0.202 -0.003 -0.002  0.007
  0.016 -0.003  0.195 -0.001  0.040
  0.011 -0.002 -0.001  0.197  0.061
 -0.006  0.007  0.040  0.061  0.324
   spin  2
    eigenvalues: 
  0.428  0.436  0.960  0.969  0.977
    eigenvectors:
  0.031  0.758  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.011  0.353
  0.716  0.048  0.011  0.028  0.197
    occupations:
  0.549  0.208 -0.054 -0.035  0.022
  0.208  0.866  0.020  0.006 -0.028
 -0.054  0.020  0.923 -0.056 -0.125
 -0.035  0.006 -0.056  0.875 -0.192
  0.022 -0.028 -0.125 -0.192  0.558
atomic mag. moment =    -2.515669
N of occupied +U levels =   20.101854
 --- exit write_ns ---

     negative rho (up, down):  4.987E-03 4.987E-03
 --- in v_hubbard ---
Hubbard energy    0.2460
 -------

     total cpu time spent up to now is     2517.8 secs

     total energy              =   -1462.85675360 Ry
     Harris-Foulkes estimate   =   -1462.85675424 Ry
     estimated scf accuracy    <       0.00000341 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    11.09 Bohr mag/cell

     iteration # 11     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  1.98E-09,  avg # of iterations =  3.8
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   3.77066  1.25508  5.02574
   spin  1
    eigenvalues: 
  0.428  0.436  0.960  0.969  0.976
    eigenvectors:
  0.031  0.758  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.011  0.353
  0.717  0.047  0.011  0.028  0.197
    occupations:
  0.549 -0.208  0.054 -0.035  0.022
 -0.208  0.866  0.020 -0.006  0.028
  0.054  0.020  0.923  0.056  0.125
 -0.035 -0.006  0.056  0.875 -0.192
  0.022  0.028  0.125 -0.192  0.558
   spin  2
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.129  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.513  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.338  0.066 -0.016  0.011 -0.006
  0.066  0.202 -0.003  0.002 -0.007
 -0.016 -0.003  0.195  0.001 -0.040
  0.011  0.002  0.001  0.197  0.061
 -0.006 -0.007 -0.040  0.061  0.324
atomic mag. moment =     2.515576
atom    6   Tr[ns(na)] (up, down, total) =   1.25497  3.77055  5.02552
   spin  1
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.129  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.513  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.338 -0.066 -0.016  0.011  0.006
 -0.066  0.202  0.003 -0.002 -0.007
 -0.016  0.003  0.195  0.001  0.040
  0.011 -0.002  0.001  0.197 -0.061
  0.006 -0.007  0.040 -0.061  0.324
   spin  2
    eigenvalues: 
  0.428  0.436  0.960  0.969  0.976
    eigenvectors:
  0.031  0.758  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.011  0.353
  0.717  0.047  0.011  0.028  0.197
    occupations:
  0.549  0.208  0.054 -0.035 -0.022
  0.208  0.866 -0.020  0.006  0.028
  0.054 -0.020  0.923  0.056 -0.125
 -0.035  0.006  0.056  0.875  0.192
 -0.022  0.028 -0.125  0.192  0.558
atomic mag. moment =    -2.515585
atom    7   Tr[ns(na)] (up, down, total) =   3.77066  1.25508  5.02574
   spin  1
    eigenvalues: 
  0.428  0.436  0.960  0.969  0.976
    eigenvectors:
  0.031  0.758  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.011  0.353
  0.717  0.047  0.011  0.028  0.197
    occupations:
  0.549 -0.208 -0.054 -0.035 -0.022
 -0.208  0.866 -0.020 -0.006 -0.028
 -0.054 -0.020  0.923 -0.056  0.125
 -0.035 -0.006 -0.056  0.875  0.192
 -0.022 -0.028  0.125  0.192  0.558
   spin  2
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.129  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.513  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.338  0.066  0.016  0.011  0.006
  0.066  0.202  0.003  0.002  0.007
  0.016  0.003  0.195 -0.001 -0.040
  0.011  0.002 -0.001  0.197 -0.061
  0.006  0.007 -0.040 -0.061  0.324
atomic mag. moment =     2.515576
atom    8   Tr[ns(na)] (up, down, total) =   1.25497  3.77055  5.02552
   spin  1
    eigenvalues: 
  0.160  0.176  0.196  0.357  0.366
    eigenvectors:
  0.019  0.129  0.000  0.001  0.850
  0.007  0.850  0.003  0.000  0.139
  0.297  0.001  0.645  0.051  0.006
  0.513  0.013  0.351  0.121  0.002
  0.163  0.007  0.001  0.827  0.003
    occupations:
  0.338 -0.066  0.016  0.011 -0.006
 -0.066  0.202 -0.003 -0.002  0.007
  0.016 -0.003  0.195 -0.001  0.040
  0.011 -0.002 -0.001  0.197  0.061
 -0.006  0.007  0.040  0.061  0.324
   spin  2
    eigenvalues: 
  0.428  0.436  0.960  0.969  0.976
    eigenvectors:
  0.031  0.758  0.005  0.143  0.063
  0.002  0.191  0.007  0.751  0.049
  0.079  0.003  0.512  0.068  0.338
  0.172  0.000  0.465  0.011  0.353
  0.717  0.047  0.011  0.028  0.197
    occupations:
  0.549  0.208 -0.054 -0.035  0.022
  0.208  0.866  0.020  0.006 -0.028
 -0.054  0.020  0.923 -0.056 -0.125
 -0.035  0.006 -0.056  0.875 -0.192
  0.022 -0.028 -0.125 -0.192  0.558
atomic mag. moment =    -2.515585
N of occupied +U levels =   20.102531
 --- exit write_ns ---

     negative rho (up, down):  4.987E-03 4.986E-03
 --- in v_hubbard ---
Hubbard energy    0.2459
 -------

     Magnetic moment per site:
     atom:    1    charge:    6.9580    magn:   -0.0000    constr:    0.0000
     atom:    2    charge:    6.9580    magn:   -0.0000    constr:    0.0000
     atom:    3    charge:    6.9580    magn:   -0.0000    constr:    0.0000
     atom:    4    charge:    6.9580    magn:   -0.0000    constr:    0.0000
     atom:    5    charge:   10.6874    magn:    2.1083    constr:    0.0000
     atom:    6    charge:   10.6872    magn:   -2.1083    constr:    0.0000
     atom:    7    charge:   10.6874    magn:    2.1083    constr:    0.0000
     atom:    8    charge:   10.6872    magn:   -2.1083    constr:    0.0000
     atom:    9    charge:    5.2889    magn:   -0.0013    constr:    0.0000
     atom:   10    charge:    5.2889    magn:    0.0013    constr:    0.0000
     atom:   11    charge:    5.2889    magn:   -0.0013    constr:    0.0000
     atom:   12    charge:    5.2889    magn:    0.0013    constr:    0.0000
     atom:   13    charge:    5.2889    magn:   -0.0013    constr:    0.0000
     atom:   14    charge:    5.2889    magn:    0.0013    constr:    0.0000
     atom:   15    charge:    5.2889    magn:   -0.0013    constr:    0.0000
     atom:   16    charge:    5.2889    magn:    0.0013    constr:    0.0000
     atom:   17    charge:    5.3213    magn:    0.0000    constr:    0.0000
     atom:   18    charge:    5.3213    magn:    0.0000    constr:    0.0000
     atom:   19    charge:    5.3213    magn:    0.0000    constr:    0.0000
     atom:   20    charge:    5.3213    magn:    0.0000    constr:    0.0000

     total cpu time spent up to now is     2736.0 secs

     End of self-consistent calculation

 ------ SPIN UP ------------


          k = 0.0000 0.0000 0.0000 (  5553 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9151 -28.9121 -28.8737 -28.8736
   -28.8376 -28.8375 -26.4450 -26.3616 -26.3531 -26.2867 -26.2859 -26.2696
   -26.2473 -26.2425 -26.2034 -26.1887  -7.7887  -7.5938  -7.5560  -7.5267
    -7.3395  -6.9557  -6.6844  -6.6753  -6.5959  -6.5345  -6.5319  -6.4310
    -4.9344  -3.8524  -3.4870  -3.3325  -3.2866  -3.0653  -2.9557  -2.7390
    -2.6990  -2.6220  -2.1106  -2.0151   7.3587   7.5288   7.6869   7.8702
     8.4865   8.5488   8.6271   8.7628   8.7926   8.8613   8.9072   9.2509
     9.3819   9.4903   9.6654   9.7250   9.7284   9.9743  10.2394  10.2459
    10.2944  10.6602  10.7848  10.8199  11.1034  11.2156  11.2475  11.4433
    11.4524  11.5331  11.8152  12.1080  12.3491  12.5218  12.5352  12.6340
    13.9192  13.9318  14.1282  14.2172  14.6263  14.9166  16.5087  16.5993
    16.6308  17.3530  17.5018  17.6215  17.9416  17.9662  18.2236  18.2493
    19.1628  19.3889  19.4544  19.5153  19.6274  19.8691  20.0014

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.1383 (  5563 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9148 -28.9124 -28.8737 -28.8736
   -28.8376 -28.8375 -26.4413 -26.3860 -26.3336 -26.2953 -26.2781 -26.2586
   -26.2477 -26.2421 -26.2068 -26.1948  -7.7145  -7.5943  -7.5375  -7.5347
    -7.3624  -6.8974  -6.8451  -6.6712  -6.6086  -6.5340  -6.5318  -6.4729
    -4.7554  -3.7943  -3.6220  -3.3375  -3.3373  -3.1117  -2.9403  -2.7107
    -2.6482  -2.5519  -2.1470  -2.0735   7.4687   7.6228   7.7513   7.9487
     8.4595   8.5662   8.6571   8.7630   8.8005   8.8348   8.8649   9.2246
     9.3529   9.4707   9.5520   9.6130   9.6985  10.0918  10.1961  10.2163
    10.3125  10.4290  10.6342  10.9771  11.1581  11.2156  11.2575  11.4445
    11.4715  11.7683  11.8468  12.1212  12.3217  12.3384  12.4235  12.4751
    13.9719  13.9991  14.2077  14.2963  14.6537  14.8729  16.5285  16.5860
    16.7970  17.3936  17.4870  17.5572  17.9328  17.9609  18.1946  18.1976
    19.2269  19.3362  19.3598  19.4690  19.6908  19.9557  20.0143

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.2767 (  5536 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9140 -28.9131 -28.8737 -28.8736
   -28.8375 -28.8375 -26.4300 -26.4112 -26.3191 -26.3076 -26.2594 -26.2499
   -26.2438 -26.2402 -26.2140 -26.2092  -7.5860  -7.5632  -7.5209  -7.4592
    -7.4219  -7.1735  -6.7546  -6.6573  -6.6360  -6.5911  -6.5328  -6.5320
    -4.3681  -3.9537  -3.6461  -3.4720  -3.3092  -3.2180  -2.8695  -2.7717
    -2.4480  -2.4003  -2.2502  -2.2330   7.7009   7.7621   7.9333   8.1941
     8.2485   8.4856   8.7059   8.7575   8.7871   8.8144   8.9504   9.1936
     9.2009   9.3795   9.4961   9.5191   9.5617   9.8342  10.1931  10.2122
    10.3274  10.4185  10.7533  10.9811  11.0020  11.2555  11.3796  11.6247
    11.6496  11.7901  11.8233  11.9505  12.1017  12.2219  12.3372  12.3837
    14.0254  14.0395  14.4332  14.4678  14.6686  14.7506  16.5286  16.5516
    17.1735  17.3552  17.4345  17.4577  17.9120  18.0205  18.0967  18.1524
    19.2460  19.3367  19.3750  19.4703  19.7109  19.8018  20.1844

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2340 0.0000 (  5556 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9147 -28.9127 -28.8737 -28.8736
   -28.8376 -28.8376 -26.4375 -26.3846 -26.3508 -26.3034 -26.2614 -26.2548
   -26.2454 -26.2430 -26.2057 -26.1969  -7.6710  -7.5706  -7.4812  -7.4000
    -7.2486  -7.0837  -6.8588  -6.8419  -6.7174  -6.7145  -6.6448  -6.4602
    -4.4200  -3.5928  -3.4156  -3.2457  -3.1313  -3.1181  -2.8892  -2.8151
    -2.8025  -2.6427  -2.3109  -2.2006   7.5810   7.8207   7.8729   8.0665
     8.4703   8.5712   8.5889   8.7541   8.8034   8.8135   8.8992   8.9364
     9.1464   9.1564   9.4367   9.5640   9.7093   9.8246  10.2951  10.3696
    10.5699  10.6559  10.8567  11.0018  11.0396  11.2276  11.2973  11.3064
    11.3415  11.4253  11.7748  11.8266  12.0945  12.2352  12.3598  12.3659
    14.2431  14.2500  14.4109  14.4112  14.6505  14.8463  16.7236  16.9676
    16.9847  17.2631  17.4203  17.4975  17.9138  17.9219  18.1257  18.1712
    19.3626  19.3903  19.4532  19.6643  19.7087  19.7342  19.8227

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2340 0.1383 (  5557 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9145 -28.9128 -28.8737 -28.8736
   -28.8376 -28.8375 -26.4351 -26.3969 -26.3381 -26.2983 -26.2757 -26.2491
   -26.2446 -26.2386 -26.2118 -26.1953  -7.6069  -7.5625  -7.4571  -7.4275
    -7.2707  -7.0115  -6.9176  -6.8344  -6.7440  -6.7332  -6.6798  -6.5123
    -4.2892  -3.5396  -3.3949  -3.3729  -3.1619  -3.0553  -2.9499  -2.7898
    -2.7493  -2.6392  -2.3479  -2.2500   7.6382   7.9168   7.9509   8.1426
     8.4751   8.5183   8.5855   8.7471   8.8193   8.8316   8.9387   9.0184
     9.1100   9.2290   9.3646   9.5321   9.5744   9.8135  10.1381  10.3320
    10.4553  10.4806  10.9123  10.9777  11.1322  11.1915  11.2737  11.4188
    11.4656  11.5312  11.6798  11.7631  12.1197  12.1666  12.3118  12.3394
    14.2787  14.3463  14.4069  14.4322  14.6729  14.8045  16.8941  16.9625
    16.9916  17.3301  17.4129  17.4357  17.8977  17.9288  18.0861  18.1323
    19.3199  19.3717  19.4639  19.5305  19.6383  19.8979  19.9607

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2340 0.2767 (  5560 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9140 -28.9133 -28.8737 -28.8736
   -28.8376 -28.8375 -26.4275 -26.4144 -26.3195 -26.3022 -26.2729 -26.2546
   -26.2440 -26.2414 -26.2084 -26.1990  -7.5328  -7.4824  -7.4464  -7.3849
    -7.3208  -7.1377  -6.8461  -6.8114  -6.7723  -6.7472  -6.7186  -6.6545
    -3.9845  -3.6450  -3.4185  -3.3217  -3.2462  -3.1048  -2.9404  -2.8235
    -2.6021  -2.5520  -2.4522  -2.3842   7.8011   7.9877   8.1174   8.3349
     8.3795   8.4346   8.6508   8.8059   8.8450   8.8794   8.9449   9.0712
     9.1071   9.1568   9.3584   9.4644   9.6021   9.7622   9.9792  10.0363
    10.2175  10.2933  10.8817  11.0627  11.1331  11.2333  11.3507  11.3792
    11.5852  11.6491  11.6605  11.8248  12.0346  12.1567  12.1865  12.2776
    14.3625  14.3998  14.5055  14.5307  14.6735  14.6926  16.9536  16.9609
    17.2274  17.2932  17.3404  17.4688  17.8928  17.9676  18.0249  18.0661
    19.2214  19.3255  19.5044  19.5559  19.7117  19.8047  19.9371

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4681 0.0000 (  5560 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9138 -28.9137 -28.8737 -28.8737
   -28.8377 -28.8376 -26.4171 -26.4170 -26.3309 -26.3309 -26.2488 -26.2488
   -26.2333 -26.2333 -26.2114 -26.2113  -7.4282  -7.4281  -7.3817  -7.3817
    -7.1266  -7.1265  -7.0834  -7.0834  -6.9738  -6.9737  -6.5488  -6.5488
    -3.5253  -3.5252  -3.3593  -3.3593  -3.1462  -3.1461  -2.7350  -2.7350
    -2.6920  -2.6919  -2.6188  -2.6188   7.9916   7.9917   8.0667   8.0667
     8.4126   8.4127   8.6561   8.6562   8.7249   8.7250   9.0045   9.0046
     9.2887   9.2887   9.4403   9.4404   9.7255   9.7255   9.9070   9.9070
    10.5675  10.5675  10.7015  10.7016  10.9193  10.9194  11.4365  11.4366
    11.6493  11.6494  11.7653  11.7654  11.7965  11.7966  12.3463  12.3464
    14.5032  14.5033  14.6161  14.6161  14.6940  14.6940  17.0016  17.0017
    17.3355  17.3356  17.5245  17.5246  17.7493  17.7493  18.1417  18.1418
    19.0970  19.0972  19.6539  19.6542  19.9074  19.9076  20.1797

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4681 0.1383 (  5560 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9138 -28.9137 -28.8737 -28.8737
   -28.8377 -28.8376 -26.4190 -26.4190 -26.3235 -26.3235 -26.2540 -26.2539
   -26.2417 -26.2417 -26.2034 -26.2033  -7.4301  -7.4301  -7.3254  -7.3253
    -7.1241  -7.1241  -7.0833  -7.0833  -6.9867  -6.9866  -6.6204  -6.6204
    -3.4681  -3.4680  -3.2957  -3.2957  -3.0927  -3.0927  -2.8260  -2.8259
    -2.7262  -2.7262  -2.6503  -2.6503   7.9240   7.9240   8.2163   8.2163
     8.4806   8.4806   8.6674   8.6674   8.7481   8.7481   9.0910   9.0910
     9.2589   9.2589   9.4226   9.4226   9.6915   9.6915   9.8529   9.8529
    10.3417  10.3417  10.5488  10.5489  11.0664  11.0664  11.4739  11.4739
    11.6429  11.6430  11.7330  11.7330  11.8933  11.8933  12.3062  12.3062
    14.5260  14.5260  14.6096  14.6096  14.7046  14.7046  17.1390  17.1391
    17.2886  17.2887  17.5297  17.5297  17.7621  17.7621  18.0971  18.0972
    19.0895  19.0897  19.5428  19.5430  19.8631  19.8634  20.2041

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4681 0.2767 (  5572 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9138 -28.9137 -28.8737 -28.8737
   -28.8376 -28.8376 -26.4219 -26.4218 -26.3069 -26.3069 -26.2726 -26.2726
   -26.2445 -26.2444 -26.1959 -26.1958  -7.3831  -7.3831  -7.3139  -7.3138
    -7.0873  -7.0872  -7.0711  -7.0711  -6.9635  -6.9635  -6.7946  -6.7945
    -3.3162  -3.3161  -3.1998  -3.1997  -2.9776  -2.9775  -2.9574  -2.9573
    -2.8277  -2.8276  -2.7531  -2.7530   7.9548   7.9549   8.1811   8.1811
     8.6229   8.6230   8.8002   8.8002   8.9592   8.9592   9.1334   9.1335
     9.2050   9.2050   9.4488   9.4488   9.6400   9.6400   9.7467   9.7468
    10.0477  10.0477  10.1828  10.1828  11.3083  11.3083  11.4819  11.4819
    11.5890  11.5890  11.6995  11.6995  12.0835  12.0835  12.2183  12.2183
    14.5335  14.5335  14.6311  14.6311  14.7233  14.7234  17.1629  17.1630
    17.3647  17.3648  17.5603  17.5603  17.7954  17.7955  18.0483  18.0483
    19.0317  19.0319  19.4176  19.4177  19.8172  19.8176  20.2374

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.0000 (  5557 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9147 -28.9123 -28.8741 -28.8740
   -28.8375 -28.8374 -26.4358 -26.3721 -26.3580 -26.3180 -26.2735 -26.2616
   -26.2309 -26.2245 -26.2114 -26.1971  -7.7145  -7.6530  -7.5436  -7.3473
    -7.2883  -7.0618  -6.9748  -6.7809  -6.6212  -6.6171  -6.5793  -6.4411
    -4.5589  -3.6711  -3.3680  -3.3125  -3.2375  -3.1678  -2.8098  -2.7357
    -2.6826  -2.6476  -2.1854  -2.1849   7.5245   7.6772   7.7378   7.8797
     8.2876   8.4596   8.7288   8.7556   8.8900   8.9087   8.9646   9.0211
     9.3501   9.4528   9.5503   9.6399   9.6877   9.8695   9.9812  10.1531
    10.6624  10.7296  10.7655  10.9000  10.9413  11.1334  11.1665  11.4761
    11.6184  11.6637  11.7115  11.8805  11.8936  12.3416  12.3423  12.4334
    14.0831  14.1172  14.3057  14.3753  14.6427  14.9002  16.6647  16.8838
    16.9161  17.3100  17.3801  17.4675  17.9233  17.9607  18.1416  18.2259
    19.1959  19.2077  19.7028  19.7261  19.8916  19.9401  20.0338

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.1383 (  5559 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9142 -28.9127 -28.8741 -28.8740
   -28.8375 -28.8374 -26.4388 -26.3811 -26.3401 -26.3058 -26.2891 -26.2708
   -26.2266 -26.2234 -26.2082 -26.1993  -7.6629  -7.6174  -7.5477  -7.3566
    -7.3147  -7.0454  -6.9589  -6.8002  -6.7233  -6.6130  -6.5655  -6.4838
    -4.4174  -3.6202  -3.4344  -3.3569  -3.2325  -3.1977  -2.8531  -2.7215
    -2.6717  -2.5660  -2.2293  -2.2126   7.6032   7.7305   7.8287   7.9147
     8.3787   8.4853   8.7017   8.7238   8.8724   8.9221   8.9586   9.0662
     9.2888   9.3943   9.4855   9.5579   9.5634   9.9573  10.0602  10.2978
    10.4253  10.5288  10.6248  10.8497  11.0160  11.2569  11.2780  11.5542
    11.5573  11.6673  11.7402  11.8565  11.9374  12.1913  12.2798  12.4165
    14.1480  14.1605  14.3834  14.4154  14.5980  14.8968  16.7480  16.9075
    16.9374  17.3597  17.4014  17.4730  17.9434  17.9799  18.0847  18.1376
    19.1820  19.2421  19.6142  19.7294  19.8153  19.9085  20.0613

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.2767 (  5552 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9135 -28.9134 -28.8741 -28.8739
   -28.8375 -28.8374 -26.4346 -26.4004 -26.3200 -26.2990 -26.2915 -26.2758
   -26.2238 -26.2216 -26.2094 -26.2073  -7.6003  -7.5603  -7.4483  -7.3684
    -7.3606  -7.1938  -6.8919  -6.8448  -6.7410  -6.6127  -6.5883  -6.5773
    -4.0924  -3.7326  -3.4847  -3.3305  -3.3030  -3.2243  -2.8768  -2.7997
    -2.5291  -2.4404  -2.3397  -2.2916   7.7360   7.8556   7.9237   8.1765
     8.3028   8.5092   8.6119   8.6150   8.9506   9.0236   9.0239   9.0767
     9.2443   9.2453   9.4192   9.5130   9.5410   9.9382  10.1356  10.1940
    10.2509  10.3798  10.4978  10.7159  10.9719  11.1653  11.5108  11.5406
    11.6724  11.6784  11.7724  11.9199  12.0059  12.1069  12.1337  12.3208
    14.1821  14.2128  14.4801  14.5905  14.5941  14.8181  16.7969  16.8849
    17.1648  17.2929  17.3544  17.5073  17.9782  18.0086  18.0490  18.1086
    19.1527  19.2913  19.5641  19.6596  19.7188  19.9266  20.1644

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2340 0.0000 (  5537 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9144 -28.9128 -28.8741 -28.8740
   -28.8376 -28.8375 -26.4328 -26.3929 -26.3519 -26.2993 -26.2869 -26.2567
   -26.2276 -26.2243 -26.2067 -26.2031  -7.7584  -7.6068  -7.5060  -7.3684
    -7.1382  -7.1279  -7.0557  -7.0468  -6.6250  -6.5701  -6.5220  -6.4749
    -4.2702  -3.4947  -3.4767  -3.3256  -3.2775  -2.9897  -2.8430  -2.7204
    -2.7109  -2.5910  -2.3999  -2.2257   7.7059   7.7572   7.8912   7.9955
     8.1666   8.2631   8.5783   8.6874   8.7997   8.8421   9.0705   9.1974
     9.2740   9.4195   9.5202   9.5645   9.6775   9.7990  10.2106  10.2537
    10.4387  10.5563  10.7958  10.8845  10.9068  11.0282  11.1930  11.4454
    11.4880  11.5339  11.7685  11.8085  11.8983  12.0765  12.3310  12.3664
    14.0322  14.4367  14.4802  14.5824  14.6130  14.8584  16.5814  16.9999
    17.2072  17.2920  17.3661  17.4816  17.8828  17.9731  18.1173  18.1806
    19.1197  19.4030  19.4446  19.7011  19.8104  19.9306  20.0079

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2340 0.1383 (  5559 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9141 -28.9131 -28.8742 -28.8740
   -28.8376 -28.8375 -26.4330 -26.3922 -26.3500 -26.3084 -26.2787 -26.2588
   -26.2275 -26.2215 -26.2088 -26.2033  -7.7386  -7.5683  -7.5089  -7.3536
    -7.1614  -7.0979  -7.0752  -7.0191  -6.7176  -6.5658  -6.5308  -6.5235
    -4.1572  -3.4925  -3.4355  -3.3341  -3.2544  -2.9594  -2.9191  -2.7810
    -2.6726  -2.6103  -2.4156  -2.2528   7.7782   7.7959   7.8997   8.1159
     8.1965   8.3633   8.5793   8.6766   8.8262   8.9070   9.0232   9.1594
     9.2510   9.3976   9.4392   9.5201   9.6756   9.7895   9.9889  10.2259
    10.4334  10.5843  10.6820  10.7744  11.0129  11.0950  11.1396  11.4602
    11.5126  11.6245  11.8086  11.8268  11.8709  12.0651  12.1826  12.3246
    14.1850  14.4466  14.4642  14.5915  14.6361  14.8304  16.6738  17.0168
    17.2987  17.3185  17.3869  17.4505  17.8887  17.9851  18.0718  18.1163
    19.1473  19.3371  19.4790  19.6567  19.7406  19.9876  20.0511

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2340 0.2767 (  5562 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9136 -28.9135 -28.8742 -28.8740
   -28.8376 -28.8375 -26.4286 -26.4052 -26.3323 -26.3173 -26.2764 -26.2610
   -26.2244 -26.2211 -26.2134 -26.2029  -7.6806  -7.6033  -7.4051  -7.3173
    -7.1754  -7.1630  -7.0608  -6.9673  -6.8194  -6.6670  -6.5544  -6.5396
    -3.8982  -3.6327  -3.3141  -3.2728  -3.1994  -3.0944  -2.9202  -2.8859
    -2.6434  -2.6154  -2.4164  -2.3312   7.8962   7.9078   8.0101   8.1195
     8.3154   8.4578   8.5824   8.7656   8.8966   8.9441   9.0500   9.1464
     9.1840   9.3211   9.3502   9.4049   9.5563   9.7889   9.9193  10.1351
    10.2096  10.4383  10.6007  10.8434  10.9031  11.0575  11.3222  11.4639
    11.5587  11.6430  11.7616  11.8239  11.9125  12.0419  12.1738  12.2430
    14.4059  14.4844  14.5001  14.6294  14.6405  14.7337  16.8077  17.0287
    17.2331  17.3115  17.4135  17.5593  17.9405  18.0000  18.0220  18.0878
    19.2198  19.2815  19.3996  19.6592  19.7617  19.8743  20.0537

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4681 0.0000 (  5570 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9137 -28.9137 -28.8742 -28.8741
   -28.8377 -28.8376 -26.4201 -26.4201 -26.3243 -26.3242 -26.2681 -26.2681
   -26.2206 -26.2205 -26.2077 -26.2077  -7.6913  -7.6913  -7.3559  -7.3558
    -7.3504  -7.3504  -6.8229  -6.8229  -6.7113  -6.7113  -6.5637  -6.5637
    -3.5826  -3.5826  -3.4850  -3.4850  -3.1724  -3.1724  -2.7807  -2.7807
    -2.5791  -2.5791  -2.4366  -2.4365   7.8607   7.8607   7.9041   7.9041
     8.1895   8.1896   8.6109   8.6110   8.8670   8.8670   9.2649   9.2650
     9.3177   9.3177   9.4975   9.4975   9.7445   9.7445  10.1447  10.1447
    10.2751  10.2751  10.6011  10.6012  10.9515  10.9515  11.4523  11.4524
    11.5105  11.5106  11.8361  11.8361  11.9389  11.9390  12.1817  12.1817
    14.2641  14.2642  14.6628  14.6629  14.7983  14.7983  16.8911  16.8911
    17.3056  17.3056  17.5204  17.5204  17.8293  17.8293  18.1259  18.1260
    19.0335  19.0336  19.6707  19.6708  20.1035  20.1042  20.2561

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4681 0.1383 (  5574 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9137 -28.9137 -28.8741 -28.8741
   -28.8376 -28.8376 -26.4170 -26.4170 -26.3341 -26.3341 -26.2574 -26.2574
   -26.2243 -26.2242 -26.2080 -26.2080  -7.6709  -7.6709  -7.4160  -7.4160
    -7.2603  -7.2603  -6.8209  -6.8209  -6.7301  -6.7301  -6.6248  -6.6247
    -3.5372  -3.5371  -3.4122  -3.4122  -3.1513  -3.1513  -2.8455  -2.8455
    -2.6069  -2.6069  -2.4669  -2.4668   7.8463   7.8463   8.0429   8.0429
     8.2283   8.2283   8.6290   8.6291   8.9316   8.9316   9.1877   9.1877
     9.3204   9.3204   9.5220   9.5220   9.7093   9.7093   9.8911   9.8912
    10.2082  10.2083  10.8354  10.8354  10.9164  10.9164  11.3340  11.3340
    11.5277  11.5277  11.8151  11.8151  11.9518  11.9519  12.1839  12.1839
    14.3235  14.3235  14.6604  14.6605  14.7887  14.7887  17.0286  17.0286
    17.3057  17.3057  17.4850  17.4851  17.8387  17.8388  18.0830  18.0832
    19.0361  19.0362  19.6893  19.6898  19.9857  19.9879  20.2226

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4681 0.2767 (  5566 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9137 -28.9136 -28.8742 -28.8741
   -28.8376 -28.8376 -26.4167 -26.4166 -26.3332 -26.3331 -26.2602 -26.2602
   -26.2270 -26.2270 -26.2038 -26.2038  -7.6063  -7.6063  -7.5085  -7.5085
    -7.0877  -7.0876  -6.8903  -6.8903  -6.7550  -6.7550  -6.7188  -6.7187
    -3.4026  -3.4026  -3.3096  -3.3096  -3.1211  -3.1211  -2.9896  -2.9896
    -2.6229  -2.6229  -2.5482  -2.5482   7.9448   7.9448   8.0461   8.0461
     8.4723   8.4723   8.7569   8.7569   8.9198   8.9198   9.0699   9.0699
     9.1874   9.1874   9.4516   9.4516   9.6920   9.6920   9.8127   9.8127
    10.2420  10.2420  10.5389  10.5390  11.0829  11.0830  11.2499  11.2499
    11.5817  11.5817  11.7607  11.7608  12.0247  12.0247  12.1336  12.1336
    14.4994  14.4994  14.6480  14.6480  14.7307  14.7308  17.1472  17.1473
    17.3569  17.3570  17.4382  17.4382  17.8415  17.8416  18.0517  18.0517
    19.1229  19.1231  19.5322  19.5324  19.9314  19.9319  20.1795

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.0000 (  5549 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9138 -28.9128 -28.8747 -28.8746
   -28.8374 -28.8374 -26.4138 -26.3912 -26.3620 -26.3502 -26.2505 -26.2479
   -26.2327 -26.2199 -26.2085 -26.2045  -7.6287  -7.5201  -7.4671  -7.2881
    -7.2774  -7.1317  -7.1066  -7.0881  -6.8536  -6.8011  -6.5333  -6.4733
    -3.8487  -3.4182  -3.3943  -3.3873  -3.0797  -2.9542  -2.7913  -2.7375
    -2.6992  -2.6663  -2.4525  -2.3677   7.5706   7.6941   7.9486   8.0011
     8.3860   8.4177   8.4784   8.7509   8.7584   8.9517   9.0184   9.2387
     9.3172   9.4240   9.5365   9.5705   9.6843   9.7675   9.8970  10.1663
    10.3353  10.4500  10.6540  10.8939  10.8969  11.0530  11.3362  11.3713
    11.4175  11.4637  11.5779  11.6865  11.9516  12.0046  12.1824  12.2562
    14.3570  14.3984  14.5495  14.6138  14.6312  14.7985  16.8977  17.0600
    17.1056  17.1709  17.5470  17.5791  17.9299  18.0151  18.0861  18.1878
    19.2408  19.3836  19.5817  19.6849  19.9523  20.1268  20.1535

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.1383 (  5543 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9133 -28.9133 -28.8748 -28.8745
   -28.8374 -28.8373 -26.4271 -26.3860 -26.3553 -26.3301 -26.2699 -26.2585
   -26.2356 -26.2242 -26.1996 -26.1953  -7.6035  -7.4761  -7.4569  -7.3072
    -7.2769  -7.1214  -7.1059  -7.0848  -6.8466  -6.8312  -6.5832  -6.5240
    -3.7631  -3.4063  -3.3381  -3.3247  -3.1174  -2.9481  -2.8151  -2.7717
    -2.7639  -2.7170  -2.4316  -2.3658   7.5905   7.6622   8.0415   8.1669
     8.4041   8.4340   8.5178   8.7762   8.7863   8.9845   9.0220   9.0338
     9.3387   9.5063   9.5734   9.6054   9.6517   9.6565   9.9762  10.0236
    10.1129  10.4136  10.6133  10.7717  10.8554  11.0770  11.2929  11.3768
    11.4272  11.5028  11.7227  11.8278  11.8397  12.0127  12.1516  12.2780
    14.3677  14.3882  14.5294  14.5931  14.6818  14.8508  16.8630  17.1043
    17.1617  17.4120  17.4883  17.5511  17.9403  17.9962  18.0737  18.1462
    19.2382  19.3701  19.5567  19.6658  19.8167  19.9205  19.9665

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.2767 (  5557 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9137 -28.9128 -28.8748 -28.8744
   -28.8374 -28.8373 -26.4336 -26.3973 -26.3208 -26.3024 -26.2995 -26.2790
   -26.2369 -26.2318 -26.1937 -26.1867  -7.5361  -7.4666  -7.3807  -7.3241
    -7.2699  -7.1994  -7.0948  -7.0446  -6.8435  -6.8171  -6.6719  -6.6456
    -3.5562  -3.3711  -3.2420  -3.2388  -3.1702  -3.0384  -2.9112  -2.8878
    -2.7708  -2.7284  -2.4089  -2.3854   7.6785   7.7599   7.9227   8.0980
     8.5123   8.6999   8.7689   8.7749   8.8983   8.9959   9.0627   9.1681
     9.3178   9.4393   9.4697   9.5055   9.5695   9.6930   9.8423   9.8491
     9.9973  10.2398  10.3880  10.4262  10.8319  11.0469  11.3437  11.4462
    11.5432  11.5739  11.8947  11.9291  11.9393  12.0022  12.0869  12.2068
    14.3374  14.3790  14.5307  14.6113  14.7509  14.9116  16.8199  17.0676
    17.2766  17.4971  17.5197  17.5987  18.0103  18.0273  18.0955  18.1232
    19.2721  19.3534  19.5177  19.5800  19.6158  19.7296  19.7669

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2340 0.0000 (  5545 PWs)   bands (ev):

   -57.1248 -57.1247 -54.4175 -54.4174 -28.9138 -28.9131 -28.8748 -28.8747
   -28.8375 -28.8375 -26.4228 -26.4093 -26.3441 -26.3235 -26.2687 -26.2554
   -26.2374 -26.2288 -26.1971 -26.1929  -7.8384  -7.7090  -7.4770  -7.4441
    -7.3339  -7.2592  -6.8886  -6.7862  -6.6210  -6.5740  -6.5546  -6.5163
    -3.8126  -3.5561  -3.5168  -3.3610  -3.3164  -3.1566  -2.7472  -2.5751
    -2.5671  -2.5304  -2.4325  -2.2969   7.6352   7.7248   7.7389   7.7936
     8.0562   8.2826   8.6946   8.7869   8.8339   8.9581   9.1720   9.2119
     9.2179   9.3721   9.5294   9.5975   9.7623   9.8273  10.1679  10.2201
    10.4002  10.4794  10.6235  10.8086  10.8882  11.0201  11.0692  11.3066
    11.3324  11.4885  11.6698  11.7065  11.9864  12.0614  12.1092  12.2412
    14.0890  14.3415  14.6182  14.6342  14.7852  14.8598  16.6985  16.9938
    17.1169  17.2088  17.5347  17.6135  17.9094  17.9950  18.1053  18.1504
    19.1540  19.2834  19.4766  19.7380  20.0479  20.1174  20.1503

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2340 0.1383 (  5536 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9135 -28.9134 -28.8749 -28.8746
   -28.8375 -28.8374 -26.4273 -26.3976 -26.3599 -26.2997 -26.2958 -26.2468
   -26.2345 -26.2251 -26.2045 -26.1890  -7.8127  -7.6920  -7.5143  -7.4235
    -7.3283  -7.2128  -6.8787  -6.7984  -6.6665  -6.6032  -6.5755  -6.5473
    -3.7600  -3.5000  -3.4739  -3.3535  -3.2478  -3.1382  -2.8058  -2.7070
    -2.6019  -2.5763  -2.3801  -2.2934   7.6199   7.6692   7.9390   7.9628
     8.1276   8.2819   8.6802   8.7863   8.8637   8.9677   9.0920   9.1797
     9.2602   9.3994   9.4970   9.5984   9.6597   9.7987   9.9561  10.0937
    10.3019  10.5289  10.5563  10.8256  10.9695  11.0521  11.1607  11.2700
    11.3740  11.5400  11.6175  11.8232  11.8446  12.0482  12.0738  12.1816
    14.2343  14.3440  14.6317  14.6451  14.7998  14.8225  16.7702  17.1244
    17.1560  17.2424  17.4861  17.5865  17.9119  17.9979  18.0918  18.1014
    19.1445  19.3297  19.4947  19.6788  19.8694  20.0376  20.1854

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2340 0.2767 (  5557 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9137 -28.9131 -28.8749 -28.8746
   -28.8375 -28.8374 -26.4264 -26.3993 -26.3489 -26.3275 -26.2708 -26.2568
   -26.2337 -26.2261 -26.2002 -26.1907  -7.7412  -7.6676  -7.5667  -7.4959
    -7.1973  -7.1304  -6.8754  -6.8377  -6.7704  -6.6888  -6.5918  -6.5709
    -3.6282  -3.5077  -3.3075  -3.2714  -3.1832  -3.0627  -2.9787  -2.9067
    -2.6564  -2.6355  -2.3408  -2.3097   7.7198   7.7890   7.9008   7.9874
     8.4045   8.5579   8.7158   8.7910   8.8864   8.8918   9.1098   9.1583
     9.2039   9.3074   9.3770   9.4826   9.5720   9.6904   9.8687  10.1125
    10.1963  10.2989  10.6042  10.7346  10.8657  10.9025  11.3389  11.4260
    11.4660  11.5877  11.6290  11.7004  11.8310  11.9933  12.0950  12.1715
    14.4173  14.4758  14.6113  14.6858  14.7151  14.7969  16.8807  17.1008
    17.2229  17.3513  17.5090  17.5226  17.9644  17.9851  18.0499  18.1140
    19.2249  19.3655  19.4964  19.6036  19.7171  19.8160  20.1002

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4681 0.0000 (  5550 PWs)   bands (ev):

   -57.1248 -57.1247 -54.4175 -54.4174 -28.9137 -28.9136 -28.8748 -28.8748
   -28.8376 -28.8376 -26.4255 -26.4255 -26.3057 -26.3057 -26.2857 -26.2857
   -26.2354 -26.2354 -26.1870 -26.1870  -7.9181  -7.9181  -7.5290  -7.5290
    -7.3007  -7.3006  -6.5919  -6.5919  -6.5730  -6.5729  -6.5071  -6.5071
    -3.6415  -3.6414  -3.5718  -3.5718  -3.3850  -3.3849  -2.6453  -2.6453
    -2.4439  -2.4439  -2.2807  -2.2807   7.5499   7.5499   7.7256   7.7256
     8.1303   8.1303   8.6481   8.6481   8.9903   8.9903   9.0963   9.0964
     9.4914   9.4914   9.6650   9.6650   9.7698   9.7699  10.1228  10.1229
    10.5281  10.5281  10.6286  10.6287  10.7759  10.7760  11.0719  11.0720
    11.5712  11.5712  11.8986  11.8986  12.0335  12.0335  12.0990  12.0990
    14.0009  14.0009  14.6774  14.6775  14.8860  14.8860  16.6937  16.6938
    17.1791  17.1792  17.5827  17.5828  17.9282  17.9283  18.1696  18.1697
    19.1702  19.1702  19.5543  19.5543  20.2116  20.2127  20.4161

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4681 0.1383 (  5542 PWs)   bands (ev):

   -57.1248 -57.1247 -54.4175 -54.4174 -28.9136 -28.9136 -28.8749 -28.8748
   -28.8376 -28.8375 -26.4199 -26.4199 -26.3322 -26.3322 -26.2609 -26.2609
   -26.2347 -26.2347 -26.1916 -26.1916  -7.8897  -7.8897  -7.5766  -7.5766
    -7.2352  -7.2352  -6.6659  -6.6658  -6.5657  -6.5657  -6.5129  -6.5129
    -3.6390  -3.6390  -3.4776  -3.4776  -3.3509  -3.3509  -2.7504  -2.7504
    -2.4270  -2.4270  -2.3096  -2.3096   7.6627   7.6628   7.7909   7.7909
     8.1321   8.1321   8.6658   8.6658   9.0187   9.0187   9.0862   9.0863
     9.4190   9.4190   9.5567   9.5567   9.7871   9.7871   9.9390   9.9390
    10.4700  10.4700  10.6977  10.6978  10.9634  10.9634  11.0495  11.0495
    11.6327  11.6327  11.7611  11.7611  11.9296  11.9296  12.1064  12.1065
    14.1401  14.1401  14.6758  14.6758  14.8634  14.8634  16.8262  16.8262
    17.1786  17.1787  17.5408  17.5409  17.9301  17.9301  18.1363  18.1363
    19.1960  19.1962  19.6071  19.6074  20.1557  20.1559  20.3863

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4681 0.2767 (  5516 PWs)   bands (ev):

   -57.1248 -57.1247 -54.4175 -54.4174 -28.9135 -28.9135 -28.8749 -28.8748
   -28.8376 -28.8375 -26.4112 -26.4112 -26.3519 -26.3518 -26.2516 -26.2516
   -26.2231 -26.2231 -26.2017 -26.2017  -7.8072  -7.8072  -7.6882  -7.6882
    -7.0648  -7.0648  -6.8484  -6.8483  -6.5500  -6.5500  -6.5296  -6.5296
    -3.5471  -3.5471  -3.4554  -3.4554  -3.1863  -3.1863  -2.9614  -2.9614
    -2.4130  -2.4130  -2.3696  -2.3696   7.8713   7.8713   7.9181   7.9181
     8.2273   8.2274   8.6272   8.6273   8.8584   8.8585   9.0237   9.0237
     9.3232   9.3233   9.4769   9.4770   9.7875   9.7875  10.0551  10.0551
    10.3243  10.3243  10.6437  10.6437  10.9384  10.9385  11.1461  11.1461
    11.5564  11.5564  11.6938  11.6939  11.9417  11.9418  12.0814  12.0814
    14.4132  14.4132  14.6383  14.6383  14.7968  14.7969  17.0012  17.0012
    17.1940  17.1940  17.4615  17.4615  17.9348  17.9348  18.1067  18.1069
    19.3204  19.3209  19.5971  19.5976  20.1244  20.1254  20.2247

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.0000 0.1383 (  5559 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9147 -28.9123 -28.8741 -28.8739
   -28.8375 -28.8374 -26.4278 -26.4004 -26.3349 -26.3242 -26.2605 -26.2598
   -26.2345 -26.2241 -26.2156 -26.2015  -7.6574  -7.6220  -7.5488  -7.3576
    -7.3142  -7.0427  -6.9606  -6.8002  -6.7234  -6.6119  -6.5674  -6.4834
    -4.4179  -3.6208  -3.4320  -3.3554  -3.2318  -3.1986  -2.8527  -2.7249
    -2.6730  -2.5681  -2.2285  -2.2099   7.6096   7.7653   7.7817   7.9326
     8.3417   8.3873   8.7676   8.7925   8.8836   8.9012   8.9043   9.1366
     9.3925   9.3935   9.5084   9.5402   9.7143   9.7643  10.0189  10.1493
    10.3884  10.4978  10.7567  10.8961  10.9688  11.2775  11.2828  11.5238
    11.5266  11.7009  11.7442  11.8368  11.9686  12.2276  12.2804  12.4299
    14.0916  14.1555  14.3233  14.4554  14.7386  14.8241  16.8317  16.8975
    16.9533  17.2736  17.3537  17.4298  17.8884  17.9558  18.1740  18.2254
    19.2057  19.2355  19.4810  19.7536  19.8640  19.9163  20.0149

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.0000 0.2767 (  5552 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9142 -28.9127 -28.8741 -28.8739
   -28.8375 -28.8374 -26.4219 -26.4159 -26.3228 -26.3134 -26.2725 -26.2642
   -26.2248 -26.2228 -26.2188 -26.2062  -7.5965  -7.5627  -7.4499  -7.3712
    -7.3604  -7.1894  -6.8938  -6.8443  -6.7427  -6.6066  -6.5921  -6.5782
    -4.0934  -3.7318  -3.4830  -3.3316  -3.3014  -3.2250  -2.8747  -2.8037
    -2.5310  -2.4412  -2.3411  -2.2870   7.7706   7.7929   8.0158   8.1686
     8.1747   8.5033   8.5736   8.7295   8.9236   8.9772   8.9851   9.1911
     9.2511   9.3124   9.4722   9.5201   9.6648   9.7897   9.9926  10.0658
    10.2484  10.3860  10.6420  10.6977  10.9824  11.1596  11.5348  11.5423
    11.6558  11.6938  11.7754  11.9053  11.9906  12.1385  12.1569  12.3026
    14.1863  14.1913  14.4359  14.5875  14.6921  14.7823  16.8456  16.8695
    17.1840  17.2533  17.3741  17.4341  17.8525  18.0232  18.1489  18.1815
    19.1593  19.2413  19.4785  19.7114  19.7921  19.9232  20.0165

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000-0.2340 0.1383 (  5559 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9144 -28.9127 -28.8742 -28.8740
   -28.8376 -28.8375 -26.4282 -26.4060 -26.3388 -26.3061 -26.2751 -26.2666
   -26.2288 -26.2199 -26.2095 -26.2032  -7.7381  -7.5653  -7.5142  -7.3513
    -7.1610  -7.0971  -7.0769  -7.0190  -6.7188  -6.5658  -6.5285  -6.5246
    -4.1581  -3.4940  -3.4333  -3.3287  -3.2557  -2.9600  -2.9205  -2.7836
    -2.6721  -2.6145  -2.4140  -2.2501   7.7555   7.8264   7.8989   8.1304
     8.2145   8.2960   8.5988   8.7361   8.8076   8.8590   9.0659   9.1606
     9.2241   9.4087   9.4764   9.5380   9.5642   9.7449  10.0465  10.3653
    10.4541  10.5745  10.6506  10.7339  10.9764  11.0498  11.1061  11.4440
    11.5193  11.6367  11.8041  11.8341  11.9093  12.0346  12.2249  12.3404
    14.1541  14.4385  14.5051  14.5945  14.6592  14.8154  16.7175  16.9953
    17.2685  17.3251  17.3408  17.4242  17.8648  17.9650  18.1202  18.1615
    19.1975  19.3605  19.4615  19.5736  19.8644  19.9276  19.9923

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000-0.2340 0.2767 (  5562 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9141 -28.9130 -28.8742 -28.8740
   -28.8376 -28.8375 -26.4226 -26.4150 -26.3312 -26.3076 -26.2835 -26.2595
   -26.2294 -26.2193 -26.2087 -26.2057  -7.6803  -7.6026  -7.4092  -7.3134
    -7.1781  -7.1607  -7.0607  -6.9664  -6.8225  -6.6657  -6.5547  -6.5390
    -3.8996  -3.6317  -3.3116  -3.2706  -3.1984  -3.0979  -2.9198  -2.8883
    -2.6463  -2.6149  -2.4166  -2.3285   7.8824   7.9440   7.9747   8.1371
     8.3469   8.4359   8.5941   8.7022   8.8727   8.9815   9.0859   9.1161
     9.2119   9.3561   9.3921   9.4273   9.4351   9.7248  10.0140  10.1540
    10.2665  10.3933  10.5612  10.8234  10.8807  11.0533  11.3182  11.4694
    11.5687  11.6362  11.7562  11.8295  11.9569  12.0270  12.1788  12.2408
    14.4003  14.4619  14.5112  14.6176  14.6796  14.7350  16.8279  17.0221
    17.2227  17.3147  17.4248  17.4898  17.8722  17.9921  18.0957  18.1312
    19.2206  19.3086  19.4294  19.5601  19.8554  19.9014  19.9455

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.4681 0.1383 (  5574 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9137 -28.9136 -28.8742 -28.8741
   -28.8376 -28.8376 -26.4215 -26.4215 -26.3144 -26.3144 -26.2796 -26.2796
   -26.2223 -26.2223 -26.2029 -26.2029  -7.6704  -7.6704  -7.4177  -7.4177
    -7.2585  -7.2585  -6.8228  -6.8228  -6.7297  -6.7296  -6.6238  -6.6238
    -3.5386  -3.5385  -3.4096  -3.4096  -3.1517  -3.1517  -2.8469  -2.8469
    -2.6082  -2.6081  -2.4652  -2.4652   7.8267   7.8267   8.1197   8.1198
     8.1935   8.1936   8.6244   8.6244   8.9398   8.9398   9.1265   9.1265
     9.3742   9.3742   9.4607   9.4607   9.6374   9.6374  10.0054  10.0054
    10.2402  10.2402  10.8357  10.8357  10.8898  10.8898  11.3468  11.3468
    11.5154  11.5155  11.8450  11.8450  11.9320  11.9320  12.1502  12.1503
    14.3622  14.3622  14.6737  14.6738  14.7680  14.7680  17.0183  17.0183
    17.2871  17.2872  17.4874  17.4874  17.8353  17.8353  18.0940  18.0940
    19.0944  19.0944  19.5898  19.5903  19.9842  19.9849  20.2680

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.4681 0.2767 (  5566 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9137 -28.9136 -28.8742 -28.8741
   -28.8376 -28.8376 -26.4196 -26.4196 -26.3218 -26.3217 -26.2733 -26.2732
   -26.2251 -26.2250 -26.2012 -26.2012  -7.6054  -7.6054  -7.5098  -7.5098
    -7.0859  -7.0858  -6.8933  -6.8933  -6.7541  -6.7541  -6.7180  -6.7180
    -3.4056  -3.4056  -3.3050  -3.3050  -3.1189  -3.1189  -2.9948  -2.9948
    -2.6221  -2.6221  -2.5478  -2.5478   7.9101   7.9101   8.1148   8.1148
     8.4655   8.4655   8.6849   8.6849   8.9646   8.9646   9.1193   9.1193
     9.1751   9.1751   9.3776   9.3776   9.6286   9.6286   9.9098   9.9098
    10.2758  10.2759  10.5206  10.5206  11.0697  11.0697  11.2661  11.2661
    11.5486  11.5487  11.7915  11.7915  12.0243  12.0243  12.1127  12.1127
    14.5112  14.5112  14.6701  14.6701  14.7147  14.7148  17.1466  17.1467
    17.3307  17.3307  17.4399  17.4399  17.8488  17.8488  18.0531  18.0532
    19.1987  19.1990  19.4522  19.4523  19.9038  19.9044  20.2159

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.0000 0.1383 (  5543 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9140 -28.9126 -28.8748 -28.8745
   -28.8374 -28.8373 -26.4149 -26.4034 -26.3521 -26.3368 -26.2570 -26.2471
   -26.2365 -26.2336 -26.2069 -26.1932  -7.6025  -7.4766  -7.4567  -7.3075
    -7.2769  -7.1224  -7.1067  -7.0853  -6.8456  -6.8278  -6.5884  -6.5213
    -3.7645  -3.4057  -3.3380  -3.3216  -3.1153  -2.9506  -2.8141  -2.7724
    -2.7652  -2.7200  -2.4352  -2.3601   7.5757   7.7202   7.9410   8.1925
     8.3244   8.4790   8.6002   8.7164   8.7803   8.9675   9.0937   9.1862
     9.3475   9.4636   9.4909   9.5303   9.6436   9.7975   9.8787  10.0204
    10.0676  10.4310  10.6484  10.7526  10.8929  10.9796  11.3323  11.3420
    11.4123  11.5409  11.7578  11.7975  11.8587  12.0381  12.1492  12.2905
    14.2879  14.4106  14.5142  14.6805  14.7217  14.7926  16.9220  17.0814
    17.1961  17.2232  17.5363  17.5414  17.9634  18.0269  18.0561  18.1739
    19.3238  19.3533  19.5521  19.6297  19.8285  19.9260  19.9885

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.0000 0.2767 (  5557 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9140 -28.9125 -28.8748 -28.8744
   -28.8374 -28.8373 -26.4297 -26.4016 -26.3312 -26.3076 -26.2842 -26.2722
   -26.2372 -26.2353 -26.1968 -26.1861  -7.5351  -7.4668  -7.3813  -7.3234
    -7.2715  -7.1986  -7.0977  -7.0430  -6.8382  -6.8183  -6.6817  -6.6389
    -3.5600  -3.3651  -3.2392  -3.2381  -3.1730  -3.0396  -2.9096  -2.8920
    -2.7727  -2.7262  -2.4175  -2.3764   7.6770   7.7876   7.9053   8.0693
     8.5086   8.5884   8.8087   8.8198   8.9918   9.0387   9.0451   9.2016
     9.3235   9.4356   9.4471   9.5438   9.5946   9.6368   9.7048   9.8259
    10.0817  10.1906  10.3375  10.4998  10.9035  10.9546  11.2916  11.4860
    11.5816  11.5865  11.8694  11.8936  11.9688  12.0160  12.1226  12.1915
    14.3011  14.3906  14.5342  14.6505  14.7300  14.9138  16.8202  17.0602
    17.2955  17.4886  17.5257  17.5400  18.0060  18.0171  18.1111  18.1638
    19.3030  19.3751  19.5123  19.5372  19.6665  19.6741  19.8201

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000-0.2340 0.1383 (  5536 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9139 -28.9129 -28.8748 -28.8747
   -28.8375 -28.8374 -26.4231 -26.4075 -26.3523 -26.3088 -26.2843 -26.2502
   -26.2355 -26.2250 -26.2043 -26.1890  -7.8129  -7.6908  -7.5139  -7.4270
    -7.3265  -7.2119  -6.8793  -6.7999  -6.6647  -6.6040  -6.5722  -6.5499
    -3.7621  -3.4978  -3.4722  -3.3538  -3.2479  -3.1378  -2.8030  -2.7126
    -2.6020  -2.5775  -2.3816  -2.2895   7.6265   7.6718   7.9118   8.0103
     8.0549   8.3245   8.6780   8.8177   8.8512   8.9763   9.1298   9.1843
     9.2309   9.3626   9.5121   9.5320   9.7378   9.8249   9.9524   9.9913
    10.2776  10.5522  10.6735  10.8410  10.9495  11.0158  11.1747  11.2031
    11.3818  11.5383  11.5588  11.8381  11.8917  12.0199  12.0977  12.2108
    14.1733  14.4475  14.6006  14.6582  14.7544  14.8478  16.8370  17.0400
    17.1475  17.2202  17.4840  17.5819  17.9369  17.9947  18.0706  18.1350
    19.2229  19.2808  19.4576  19.7311  19.9023  20.0432  20.1002

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000-0.2340 0.2767 (  5557 PWs)   bands (ev):

   -57.1248 -57.1248 -54.4175 -54.4174 -28.9139 -28.9129 -28.8749 -28.8746
   -28.8375 -28.8374 -26.4248 -26.4029 -26.3513 -26.3182 -26.2807 -26.2498
   -26.2327 -26.2281 -26.2026 -26.1894  -7.7419  -7.6654  -7.5672  -7.4975
    -7.1968  -7.1296  -6.8776  -6.8352  -6.7739  -6.6854  -6.5929  -6.5706
    -3.6311  -3.5050  -3.3061  -3.2706  -3.1817  -3.0633  -2.9827  -2.9051
    -2.6589  -2.6346  -2.3438  -2.3055   7.7391   7.7742   7.8976   7.9766
     8.4114   8.5897   8.6767   8.7728   8.8684   8.9867   9.1161   9.1231
     9.2369   9.2589   9.3588   9.4317   9.6645   9.6937   9.9187  10.0170
    10.1755  10.3116  10.6320  10.6777  10.8867  10.9665  11.3274  11.3736
    11.4779  11.5401  11.6236  11.7397  11.8727  11.9677  12.1114  12.1726
    14.4061  14.5331  14.5526  14.7023  14.7093  14.8037  16.8991  17.0934
    17.2397  17.3291  17.4278  17.5541  17.9569  17.9915  18.0675  18.1329
    19.2222  19.3885  19.4583  19.6537  19.7376  19.8253  20.0417

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.4681 0.1383 (  5542 PWs)   bands (ev):

   -57.1248 -57.1247 -54.4175 -54.4174 -28.9136 -28.9135 -28.8749 -28.8748
   -28.8376 -28.8375 -26.4226 -26.4226 -26.3212 -26.3212 -26.2742 -26.2742
   -26.2314 -26.2314 -26.1900 -26.1900  -7.8894  -7.8894  -7.5771  -7.5771
    -7.2348  -7.2348  -6.6675  -6.6674  -6.5642  -6.5642  -6.5129  -6.5129
    -3.6403  -3.6402  -3.4757  -3.4757  -3.3509  -3.3509  -2.7519  -2.7519
    -2.4268  -2.4268  -2.3091  -2.3091   7.6430   7.6430   7.8238   7.8238
     8.1291   8.1291   8.6694   8.6695   9.0208   9.0209   9.0694   9.0694
     9.3811   9.3811   9.5950   9.5950   9.7597   9.7597   9.9405   9.9405
    10.5292  10.5292  10.7253  10.7253  10.8697  10.8697  11.0892  11.0892
    11.6193  11.6193  11.7722  11.7722  11.9461  11.9461  12.0798  12.0798
    14.1500  14.1500  14.6786  14.6786  14.8635  14.8636  16.8179  16.8180
    17.1792  17.1793  17.5318  17.5318  17.9399  17.9400  18.1363  18.1366
    19.2257  19.2259  19.5512  19.5514  20.1836  20.1860  20.3656

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.4681 0.2767 (  5516 PWs)   bands (ev):

   -57.1248 -57.1247 -54.4175 -54.4174 -28.9135 -28.9135 -28.8749 -28.8748
   -28.8376 -28.8375 -26.4137 -26.4137 -26.3465 -26.3465 -26.2571 -26.2571
   -26.2224 -26.2224 -26.1999 -26.1998  -7.8068  -7.8067  -7.6887  -7.6887
    -7.0643  -7.0643  -6.8492  -6.8491  -6.5493  -6.5493  -6.5298  -6.5298
    -3.5484  -3.5484  -3.4542  -3.4542  -3.1839  -3.1839  -2.9643  -2.9643
    -2.4117  -2.4117  -2.3703  -2.3703   7.8140   7.8140   8.0138   8.0138
     8.2045   8.2045   8.5901   8.5901   8.9092   8.9092   8.9898   8.9898
     9.3309   9.3310   9.4691   9.4691   9.7938   9.7939   9.9946   9.9946
    10.4447  10.4447  10.5966  10.5966  10.9387  10.9387  11.1320  11.1320
    11.5223  11.5223  11.7296  11.7296  11.9585  11.9585  12.0609  12.0609
    14.4072  14.4073  14.6507  14.6507  14.7968  14.7969  16.9946  16.9947
    17.1943  17.1944  17.4548  17.4548  17.9410  17.9411  18.1091  18.1092
    19.3551  19.3551  19.5438  19.5441  20.1332  20.1364  20.2668

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

 ------ SPIN DOWN ----------


          k = 0.0000 0.0000 0.0000 (  5553 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9143 -28.9113 -28.8729 -28.8728
   -28.8368 -28.8367 -26.4454 -26.3623 -26.3531 -26.2873 -26.2859 -26.2703
   -26.2481 -26.2433 -26.2039 -26.1892  -7.7887  -7.5938  -7.5560  -7.5267
    -7.3395  -6.9557  -6.6844  -6.6753  -6.5959  -6.5345  -6.5319  -6.4310
    -4.9343  -3.8524  -3.4870  -3.3325  -3.2866  -3.0653  -2.9557  -2.7390
    -2.6990  -2.6220  -2.1106  -2.0151   7.3587   7.5288   7.6870   7.8702
     8.4865   8.5488   8.6272   8.7628   8.7927   8.8613   8.9073   9.2509
     9.3819   9.4903   9.6656   9.7250   9.7286   9.9743  10.2393  10.2459
    10.2944  10.6602  10.7848  10.8199  11.1034  11.2156  11.2475  11.4433
    11.4524  11.5332  11.8152  12.1080  12.3491  12.5218  12.5352  12.6340
    13.9196  13.9323  14.1286  14.2177  14.6268  14.9171  16.5087  16.5993
    16.6310  17.3527  17.5013  17.6210  17.9418  17.9661  18.2233  18.2494
    19.1628  19.3888  19.4543  19.5152  19.6275  19.8692  20.0012

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.1383 (  5563 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9140 -28.9116 -28.8729 -28.8728
   -28.8368 -28.8367 -26.4417 -26.3864 -26.3339 -26.2955 -26.2786 -26.2591
   -26.2484 -26.2428 -26.2073 -26.1953  -7.7145  -7.5943  -7.5375  -7.5347
    -7.3624  -6.8974  -6.8451  -6.6712  -6.6086  -6.5340  -6.5318  -6.4729
    -4.7553  -3.7943  -3.6220  -3.3375  -3.3373  -3.1117  -2.9402  -2.7107
    -2.6482  -2.5519  -2.1470  -2.0735   7.4687   7.6228   7.7514   7.9487
     8.4595   8.5663   8.6571   8.7631   8.8006   8.8348   8.8650   9.2246
     9.3529   9.4707   9.5521   9.6130   9.6987  10.0917  10.1961  10.2163
    10.3125  10.4290  10.6342  10.9771  11.1581  11.2156  11.2575  11.4445
    11.4715  11.7683  11.8468  12.1213  12.3217  12.3384  12.4235  12.4751
    13.9723  13.9995  14.2081  14.2968  14.6543  14.8734  16.5285  16.5859
    16.7971  17.3932  17.4864  17.5567  17.9328  17.9611  18.1946  18.1975
    19.2268  19.3363  19.3603  19.4688  19.6914  19.9555  20.0143

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.2767 (  5536 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9132 -28.9123 -28.8729 -28.8728
   -28.8368 -28.8367 -26.4304 -26.4116 -26.3195 -26.3079 -26.2599 -26.2506
   -26.2442 -26.2408 -26.2145 -26.2098  -7.5860  -7.5632  -7.5209  -7.4592
    -7.4219  -7.1735  -6.7547  -6.6573  -6.6360  -6.5911  -6.5328  -6.5320
    -4.3681  -3.9537  -3.6461  -3.4719  -3.3092  -3.2180  -2.8695  -2.7717
    -2.4480  -2.4003  -2.2502  -2.2330   7.7010   7.7621   7.9333   8.1941
     8.2486   8.4856   8.7059   8.7576   8.7871   8.8145   8.9504   9.1937
     9.2009   9.3795   9.4961   9.5192   9.5617   9.8343  10.1932  10.2123
    10.3274  10.4185  10.7533  10.9811  11.0020  11.2556  11.3796  11.6247
    11.6495  11.7901  11.8233  11.9505  12.1017  12.2220  12.3373  12.3838
    14.0259  14.0400  14.4337  14.4682  14.6691  14.7511  16.5286  16.5516
    17.1733  17.3548  17.4340  17.4572  17.9120  18.0210  18.0964  18.1521
    19.2458  19.3370  19.3750  19.4705  19.7103  19.8022  20.1853

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2340 0.0000 (  5556 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9139 -28.9119 -28.8729 -28.8729
   -28.8369 -28.8368 -26.4380 -26.3851 -26.3509 -26.3037 -26.2617 -26.2555
   -26.2460 -26.2437 -26.2062 -26.1974  -7.6710  -7.5706  -7.4812  -7.4000
    -7.2486  -7.0837  -6.8588  -6.8419  -6.7174  -6.7145  -6.6448  -6.4602
    -4.4200  -3.5928  -3.4155  -3.2457  -3.1313  -3.1181  -2.8892  -2.8151
    -2.8025  -2.6427  -2.3108  -2.2006   7.5810   7.8207   7.8730   8.0665
     8.4704   8.5712   8.5890   8.7541   8.8035   8.8135   8.8992   8.9364
     9.1464   9.1564   9.4367   9.5641   9.7094   9.8247  10.2951  10.3696
    10.5699  10.6559  10.8567  11.0019  11.0396  11.2276  11.2973  11.3064
    11.3415  11.4254  11.7748  11.8266  12.0945  12.2352  12.3598  12.3660
    14.2436  14.2505  14.4114  14.4117  14.6510  14.8468  16.7236  16.9675
    16.9847  17.2628  17.4199  17.4970  17.9139  17.9217  18.1258  18.1710
    19.3627  19.3899  19.4533  19.6689  19.7093  19.8223  19.9916

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2340 0.1383 (  5557 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9137 -28.9120 -28.8729 -28.8729
   -28.8369 -28.8368 -26.4355 -26.3974 -26.3383 -26.2986 -26.2763 -26.2498
   -26.2454 -26.2390 -26.2124 -26.1958  -7.6069  -7.5625  -7.4571  -7.4275
    -7.2707  -7.0115  -6.9176  -6.8344  -6.7440  -6.7332  -6.6798  -6.5123
    -4.2892  -3.5396  -3.3949  -3.3728  -3.1619  -3.0553  -2.9499  -2.7898
    -2.7493  -2.6392  -2.3479  -2.2500   7.6382   7.9168   7.9509   8.1426
     8.4752   8.5184   8.5856   8.7472   8.8193   8.8316   8.9387   9.0184
     9.1100   9.2290   9.3646   9.5322   9.5744   9.8136  10.1381  10.3320
    10.4554  10.4806  10.9123  10.9777  11.1322  11.1915  11.2737  11.4188
    11.4656  11.5312  11.6798  11.7632  12.1197  12.1666  12.3118  12.3395
    14.2792  14.3468  14.4073  14.4328  14.6735  14.8050  16.8940  16.9625
    16.9916  17.3298  17.4125  17.4351  17.8977  17.9286  18.0861  18.1321
    19.3197  19.3719  19.4641  19.5305  19.6378  19.9017  19.9598

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2340 0.2767 (  5560 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9132 -28.9125 -28.8729 -28.8729
   -28.8368 -28.8367 -26.4279 -26.4148 -26.3197 -26.3024 -26.2735 -26.2552
   -26.2447 -26.2419 -26.2089 -26.1995  -7.5328  -7.4824  -7.4464  -7.3849
    -7.3208  -7.1377  -6.8461  -6.8114  -6.7723  -6.7472  -6.7186  -6.6545
    -3.9845  -3.6450  -3.4185  -3.3217  -3.2462  -3.1048  -2.9403  -2.8235
    -2.6021  -2.5520  -2.4522  -2.3842   7.8011   7.9877   8.1174   8.3349
     8.3795   8.4347   8.6509   8.8060   8.8450   8.8794   8.9449   9.0712
     9.1072   9.1568   9.3584   9.4644   9.6021   9.7623   9.9792  10.0364
    10.2174  10.2933  10.8817  11.0627  11.1331  11.2333  11.3507  11.3792
    11.5852  11.6491  11.6605  11.8248  12.0347  12.1567  12.1865  12.2776
    14.3630  14.4003  14.5060  14.5312  14.6740  14.6931  16.9535  16.9608
    17.2272  17.2928  17.3399  17.4684  17.8929  17.9674  18.0253  18.0659
    19.2212  19.3253  19.5040  19.5551  19.7117  19.8058  19.9388

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4681 0.0000 (  5560 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9130 -28.9130 -28.8730 -28.8729
   -28.8369 -28.8369 -26.4175 -26.4175 -26.3311 -26.3311 -26.2496 -26.2495
   -26.2337 -26.2337 -26.2120 -26.2119  -7.4282  -7.4281  -7.3817  -7.3817
    -7.1266  -7.1265  -7.0834  -7.0834  -6.9738  -6.9737  -6.5488  -6.5488
    -3.5253  -3.5252  -3.3593  -3.3593  -3.1462  -3.1461  -2.7350  -2.7349
    -2.6920  -2.6919  -2.6188  -2.6188   7.9917   7.9917   8.0667   8.0667
     8.4127   8.4127   8.6562   8.6563   8.7249   8.7250   9.0046   9.0046
     9.2887   9.2888   9.4404   9.4404   9.7255   9.7255   9.9070   9.9070
    10.5675  10.5675  10.7015  10.7015  10.9193  10.9194  11.4365  11.4366
    11.6493  11.6494  11.7654  11.7654  11.7965  11.7966  12.3463  12.3464
    14.5037  14.5038  14.6166  14.6166  14.6945  14.6945  17.0015  17.0016
    17.3350  17.3351  17.5239  17.5240  17.7496  17.7497  18.1417  18.1418
    19.0969  19.0971  19.6539  19.6541  19.9066  19.9083  20.1800

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4681 0.1383 (  5560 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9130 -28.9129 -28.8729 -28.8729
   -28.8369 -28.8368 -26.4195 -26.4195 -26.3238 -26.3237 -26.2546 -26.2545
   -26.2423 -26.2423 -26.2039 -26.2038  -7.4301  -7.4301  -7.3254  -7.3253
    -7.1241  -7.1241  -7.0833  -7.0833  -6.9867  -6.9866  -6.6204  -6.6204
    -3.4681  -3.4680  -3.2957  -3.2956  -3.0927  -3.0927  -2.8260  -2.8259
    -2.7262  -2.7262  -2.6503  -2.6503   7.9240   7.9240   8.2163   8.2163
     8.4806   8.4806   8.6674   8.6675   8.7481   8.7482   9.0910   9.0910
     9.2589   9.2589   9.4227   9.4227   9.6916   9.6916   9.8529   9.8530
    10.3417  10.3417  10.5489  10.5489  11.0664  11.0664  11.4739  11.4740
    11.6430  11.6430  11.7330  11.7330  11.8933  11.8933  12.3062  12.3062
    14.5265  14.5265  14.6101  14.6101  14.7051  14.7051  17.1388  17.1388
    17.2881  17.2882  17.5291  17.5292  17.7625  17.7625  18.0973  18.0974
    19.0891  19.0892  19.5425  19.5426  19.8625  19.8632  20.2041

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4681 0.2767 (  5572 PWs)   bands (ev):

   -57.1240 -57.1240 -54.4183 -54.4183 -28.9130 -28.9129 -28.8729 -28.8729
   -28.8369 -28.8368 -26.4223 -26.4223 -26.3070 -26.3070 -26.2732 -26.2732
   -26.2452 -26.2452 -26.1964 -26.1963  -7.3831  -7.3831  -7.3139  -7.3138
    -7.0873  -7.0873  -7.0711  -7.0711  -6.9635  -6.9635  -6.7946  -6.7945
    -3.3162  -3.3161  -3.1997  -3.1997  -2.9776  -2.9775  -2.9574  -2.9573
    -2.8277  -2.8276  -2.7531  -2.7530   7.9549   7.9549   8.1811   8.1811
     8.6230   8.6230   8.8003   8.8003   8.9592   8.9593   9.1335   9.1335
     9.2051   9.2051   9.4488   9.4488   9.6400   9.6400   9.7468   9.7469
    10.0477  10.0477  10.1827  10.1827  11.3083  11.3083  11.4819  11.4819
    11.5890  11.5890  11.6995  11.6995  12.0835  12.0835  12.2183  12.2183
    14.5340  14.5340  14.6316  14.6317  14.7238  14.7239  17.1624  17.1625
    17.3642  17.3643  17.5597  17.5597  17.7959  17.7960  18.0487  18.0488
    19.0314  19.0317  19.4169  19.4171  19.8174  19.8178  20.2358

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.0000 (  5557 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9139 -28.9115 -28.8733 -28.8732
   -28.8368 -28.8367 -26.4363 -26.3726 -26.3583 -26.3182 -26.2740 -26.2623
   -26.2316 -26.2251 -26.2118 -26.1976  -7.7145  -7.6530  -7.5436  -7.3473
    -7.2883  -7.0618  -6.9748  -6.7809  -6.6212  -6.6171  -6.5793  -6.4411
    -4.5589  -3.6711  -3.3680  -3.3125  -3.2375  -3.1678  -2.8098  -2.7356
    -2.6826  -2.6476  -2.1854  -2.1849   7.5246   7.6772   7.7378   7.8797
     8.2876   8.4597   8.7289   8.7557   8.8900   8.9088   8.9646   9.0211
     9.3502   9.4528   9.5503   9.6400   9.6877   9.8695   9.9812  10.1531
    10.6624  10.7296  10.7655  10.9000  10.9413  11.1334  11.1665  11.4761
    11.6184  11.6637  11.7115  11.8805  11.8936  12.3416  12.3423  12.4335
    14.0835  14.1176  14.3062  14.3758  14.6432  14.9007  16.6644  16.8837
    16.9161  17.3096  17.3796  17.4671  17.9234  17.9605  18.1415  18.2258
    19.1960  19.2077  19.7025  19.7262  19.8920  19.9451  20.0364

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.1383 (  5559 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9139 -28.9115 -28.8733 -28.8732
   -28.8367 -28.8367 -26.4282 -26.4008 -26.3353 -26.3244 -26.2611 -26.2603
   -26.2352 -26.2246 -26.2161 -26.2020  -7.6574  -7.6220  -7.5488  -7.3576
    -7.3142  -7.0427  -6.9606  -6.8002  -6.7234  -6.6119  -6.5674  -6.4834
    -4.4178  -3.6208  -3.4320  -3.3553  -3.2318  -3.1986  -2.8526  -2.7250
    -2.6730  -2.5681  -2.2285  -2.2099   7.6096   7.7654   7.7817   7.9326
     8.3417   8.3874   8.7677   8.7926   8.8836   8.9012   8.9043   9.1366
     9.3925   9.3935   9.5085   9.5402   9.7143   9.7644  10.0189  10.1494
    10.3884  10.4978  10.7567  10.8961  10.9688  11.2775  11.2828  11.5238
    11.5267  11.7009  11.7442  11.8368  11.9686  12.2276  12.2805  12.4299
    14.0920  14.1560  14.3237  14.4559  14.7391  14.8246  16.8317  16.8974
    16.9533  17.2732  17.3533  17.4293  17.8882  17.9558  18.1738  18.2254
    19.2051  19.2355  19.4809  19.7543  19.8635  19.9189  20.0156

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.2767 (  5552 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9134 -28.9119 -28.8734 -28.8731
   -28.8367 -28.8366 -26.4223 -26.4164 -26.3231 -26.3137 -26.2731 -26.2648
   -26.2254 -26.2234 -26.2194 -26.2067  -7.5965  -7.5627  -7.4499  -7.3712
    -7.3604  -7.1894  -6.8938  -6.8443  -6.7427  -6.6066  -6.5921  -6.5782
    -4.0934  -3.7318  -3.4830  -3.3315  -3.3013  -3.2250  -2.8747  -2.8037
    -2.5310  -2.4411  -2.3411  -2.2871   7.7706   7.7929   8.0158   8.1686
     8.1747   8.5033   8.5737   8.7296   8.9237   8.9773   8.9851   9.1910
     9.2512   9.3124   9.4722   9.5201   9.6648   9.7897   9.9927  10.0658
    10.2484  10.3860  10.6420  10.6977  10.9824  11.1596  11.5348  11.5423
    11.6558  11.6938  11.7755  11.9053  11.9906  12.1386  12.1569  12.3026
    14.1868  14.1918  14.4364  14.5880  14.6926  14.7828  16.8455  16.8694
    17.1836  17.2530  17.3736  17.4337  17.8524  18.0232  18.1491  18.1813
    19.1589  19.2412  19.4783  19.7115  19.7926  19.9248  20.0167

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2340 0.0000 (  5537 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9137 -28.9120 -28.8733 -28.8733
   -28.8368 -28.8367 -26.4332 -26.3934 -26.3521 -26.2995 -26.2875 -26.2573
   -26.2282 -26.2249 -26.2072 -26.2036  -7.7584  -7.6068  -7.5060  -7.3684
    -7.1382  -7.1280  -7.0557  -7.0468  -6.6250  -6.5701  -6.5220  -6.4749
    -4.2702  -3.4947  -3.4766  -3.3256  -3.2774  -2.9897  -2.8430  -2.7204
    -2.7109  -2.5910  -2.3998  -2.2257   7.7060   7.7573   7.8912   7.9956
     8.1666   8.2631   8.5784   8.6875   8.7997   8.8422   9.0706   9.1974
     9.2740   9.4196   9.5203   9.5645   9.6776   9.7990  10.2106  10.2537
    10.4387  10.5563  10.7958  10.8845  10.9067  11.0282  11.1930  11.4454
    11.4880  11.5339  11.7685  11.8085  11.8983  12.0765  12.3310  12.3664
    14.0327  14.4372  14.4806  14.5828  14.6135  14.8589  16.5814  16.9998
    17.2070  17.2916  17.3658  17.4812  17.8829  17.9728  18.1173  18.1804
    19.1197  19.4027  19.4445  19.7002  19.8098  19.9315  20.0084

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2340 0.1383 (  5559 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9136 -28.9119 -28.8734 -28.8732
   -28.8368 -28.8367 -26.4286 -26.4065 -26.3391 -26.3064 -26.2756 -26.2673
   -26.2295 -26.2205 -26.2100 -26.2036  -7.7381  -7.5653  -7.5142  -7.3513
    -7.1611  -7.0971  -7.0769  -7.0190  -6.7188  -6.5658  -6.5285  -6.5246
    -4.1581  -3.4940  -3.4333  -3.3288  -3.2557  -2.9600  -2.9205  -2.7836
    -2.6721  -2.6145  -2.4140  -2.2501   7.7556   7.8264   7.8989   8.1304
     8.2145   8.2960   8.5989   8.7361   8.8077   8.8590   9.0660   9.1606
     9.2241   9.4087   9.4764   9.5381   9.5642   9.7450  10.0465  10.3653
    10.4540  10.5746  10.6506  10.7339  10.9764  11.0499  11.1061  11.4440
    11.5194  11.6367  11.8041  11.8341  11.9093  12.0347  12.2249  12.3404
    14.1546  14.4390  14.5055  14.5950  14.6597  14.8158  16.7174  16.9952
    17.2681  17.3248  17.3406  17.4237  17.8647  17.9650  18.1201  18.1612
    19.1974  19.3602  19.4607  19.5737  19.8638  19.9263  19.9911

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2340 0.2767 (  5562 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9133 -28.9122 -28.8734 -28.8732
   -28.8368 -28.8367 -26.4230 -26.4154 -26.3315 -26.3077 -26.2842 -26.2600
   -26.2300 -26.2200 -26.2092 -26.2062  -7.6803  -7.6026  -7.4092  -7.3134
    -7.1781  -7.1607  -7.0607  -6.9664  -6.8225  -6.6657  -6.5547  -6.5390
    -3.8996  -3.6317  -3.3116  -3.2706  -3.1984  -3.0979  -2.9198  -2.8883
    -2.6462  -2.6149  -2.4166  -2.3285   7.8825   7.9440   7.9747   8.1371
     8.3470   8.4360   8.5942   8.7022   8.8728   8.9816   9.0860   9.1161
     9.2119   9.3561   9.3922   9.4274   9.4351   9.7248  10.0141  10.1540
    10.2665  10.3934  10.5613  10.8235  10.8807  11.0533  11.3182  11.4694
    11.5687  11.6363  11.7562  11.8295  11.9570  12.0270  12.1788  12.2408
    14.4007  14.4624  14.5117  14.6181  14.6801  14.7355  16.8277  17.0221
    17.2222  17.3144  17.4242  17.4894  17.8724  17.9921  18.0959  18.1313
    19.2209  19.3086  19.4295  19.5598  19.8559  19.9025  19.9441

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4681 0.0000 (  5570 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9130 -28.9129 -28.8734 -28.8733
   -28.8369 -28.8368 -26.4205 -26.4205 -26.3245 -26.3245 -26.2687 -26.2687
   -26.2212 -26.2211 -26.2082 -26.2082  -7.6913  -7.6913  -7.3559  -7.3558
    -7.3504  -7.3504  -6.8229  -6.8229  -6.7113  -6.7113  -6.5637  -6.5637
    -3.5826  -3.5826  -3.4850  -3.4849  -3.1724  -3.1724  -2.7807  -2.7807
    -2.5791  -2.5791  -2.4365  -2.4365   7.8607   7.8608   7.9042   7.9042
     8.1895   8.1896   8.6110   8.6110   8.8670   8.8670   9.2650   9.2650
     9.3177   9.3177   9.4976   9.4976   9.7446   9.7446  10.1448  10.1448
    10.2751  10.2751  10.6011  10.6011  10.9515  10.9515  11.4524  11.4524
    11.5105  11.5106  11.8361  11.8362  11.9389  11.9390  12.1817  12.1817
    14.2646  14.2646  14.6633  14.6634  14.7987  14.7987  16.8910  16.8911
    17.3051  17.3052  17.5199  17.5200  17.8296  17.8296  18.1258  18.1260
    19.0332  19.0333  19.6708  19.6710  20.1040  20.1078  20.2551

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4681 0.1383 (  5574 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9129 -28.9129 -28.8734 -28.8733
   -28.8369 -28.8368 -26.4220 -26.4220 -26.3146 -26.3145 -26.2803 -26.2803
   -26.2230 -26.2229 -26.2034 -26.2034  -7.6704  -7.6704  -7.4177  -7.4177
    -7.2585  -7.2585  -6.8228  -6.8228  -6.7297  -6.7297  -6.6238  -6.6238
    -3.5385  -3.5385  -3.4096  -3.4096  -3.1517  -3.1517  -2.8469  -2.8469
    -2.6081  -2.6081  -2.4652  -2.4652   7.8267   7.8267   8.1198   8.1198
     8.1936   8.1936   8.6244   8.6245   8.9399   8.9399   9.1265   9.1265
     9.3742   9.3742   9.4607   9.4607   9.6374   9.6374  10.0054  10.0054
    10.2402  10.2402  10.8357  10.8358  10.8898  10.8898  11.3468  11.3468
    11.5154  11.5155  11.8450  11.8451  11.9320  11.9320  12.1503  12.1503
    14.3627  14.3627  14.6743  14.6743  14.7685  14.7685  17.0181  17.0182
    17.2866  17.2866  17.4870  17.4870  17.8356  17.8357  18.0940  18.0940
    19.0942  19.0942  19.5898  19.5901  19.9842  19.9839  20.2665

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4681 0.2767 (  5566 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9129 -28.9128 -28.8734 -28.8733
   -28.8368 -28.8368 -26.4201 -26.4200 -26.3220 -26.3219 -26.2739 -26.2739
   -26.2257 -26.2257 -26.2017 -26.2017  -7.6054  -7.6054  -7.5098  -7.5098
    -7.0859  -7.0858  -6.8933  -6.8933  -6.7541  -6.7541  -6.7180  -6.7180
    -3.4056  -3.4056  -3.3050  -3.3050  -3.1189  -3.1189  -2.9948  -2.9948
    -2.6220  -2.6220  -2.5478  -2.5478   7.9101   7.9101   8.1148   8.1148
     8.4656   8.4656   8.6850   8.6850   8.9646   8.9646   9.1193   9.1193
     9.1752   9.1752   9.3777   9.3777   9.6287   9.6287   9.9097   9.9098
    10.2758  10.2758  10.5206  10.5207  11.0698  11.0698  11.2661  11.2661
    11.5487  11.5487  11.7915  11.7915  12.0244  12.0244  12.1127  12.1127
    14.5117  14.5117  14.6706  14.6706  14.7152  14.7152  17.1463  17.1463
    17.3303  17.3303  17.4394  17.4395  17.8490  17.8491  18.0532  18.0533
    19.1984  19.1986  19.4521  19.4522  19.9037  19.9043  20.2179

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.0000 (  5549 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9130 -28.9121 -28.8739 -28.8739
   -28.8366 -28.8366 -26.4143 -26.3916 -26.3624 -26.3505 -26.2512 -26.2484
   -26.2332 -26.2204 -26.2091 -26.2051  -7.6287  -7.5201  -7.4671  -7.2881
    -7.2774  -7.1317  -7.1066  -7.0881  -6.8536  -6.8011  -6.5333  -6.4733
    -3.8487  -3.4182  -3.3943  -3.3873  -3.0797  -2.9542  -2.7912  -2.7375
    -2.6992  -2.6663  -2.4525  -2.3677   7.5707   7.6941   7.9486   8.0011
     8.3860   8.4177   8.4784   8.7509   8.7585   8.9517   9.0185   9.2388
     9.3173   9.4241   9.5366   9.5705   9.6843   9.7674   9.8970  10.1663
    10.3353  10.4500  10.6541  10.8940  10.8969  11.0530  11.3363  11.3713
    11.4175  11.4638  11.5779  11.6865  11.9516  12.0047  12.1824  12.2562
    14.3575  14.3989  14.5500  14.6142  14.6317  14.7990  16.8975  17.0595
    17.1053  17.1707  17.5467  17.5787  17.9301  18.0151  18.0859  18.1879
    19.2409  19.3838  19.5814  19.6840  19.9532  20.1296  20.1578

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.1383 (  5543 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9133 -28.9118 -28.8740 -28.8737
   -28.8366 -28.8365 -26.4153 -26.4039 -26.3523 -26.3371 -26.2575 -26.2475
   -26.2372 -26.2342 -26.2075 -26.1937  -7.6025  -7.4766  -7.4567  -7.3075
    -7.2769  -7.1224  -7.1067  -7.0853  -6.8456  -6.8278  -6.5884  -6.5213
    -3.7645  -3.4058  -3.3380  -3.3216  -3.1153  -2.9506  -2.8141  -2.7724
    -2.7652  -2.7200  -2.4351  -2.3601   7.5757   7.7202   7.9410   8.1926
     8.3245   8.4791   8.6002   8.7164   8.7804   8.9676   9.0937   9.1862
     9.3476   9.4638   9.4910   9.5304   9.6437   9.7975   9.8787  10.0204
    10.0676  10.4310  10.6484  10.7526  10.8929  10.9796  11.3323  11.3421
    11.4123  11.5409  11.7578  11.7976  11.8587  12.0381  12.1493  12.2905
    14.2884  14.4111  14.5147  14.6810  14.7222  14.7931  16.9216  17.0810
    17.1960  17.2230  17.5359  17.5411  17.9638  18.0271  18.0561  18.1741
    19.3241  19.3534  19.5519  19.6297  19.8287  19.9278  19.9893

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.2767 (  5557 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9132 -28.9117 -28.8741 -28.8736
   -28.8367 -28.8365 -26.4301 -26.4021 -26.3314 -26.3080 -26.2846 -26.2726
   -26.2379 -26.2360 -26.1973 -26.1866  -7.5351  -7.4668  -7.3813  -7.3234
    -7.2715  -7.1986  -7.0977  -7.0430  -6.8382  -6.8183  -6.6816  -6.6389
    -3.5599  -3.3652  -3.2392  -3.2380  -3.1730  -3.0395  -2.9096  -2.8920
    -2.7727  -2.7262  -2.4175  -2.3765   7.6770   7.7876   7.9053   8.0694
     8.5087   8.5885   8.8088   8.8198   8.9918   9.0387   9.0452   9.2016
     9.3235   9.4357   9.4471   9.5438   9.5948   9.6369   9.7048   9.8258
    10.0816  10.1906  10.3376  10.4998  10.9035  10.9546  11.2916  11.4860
    11.5817  11.5864  11.8694  11.8936  11.9689  12.0160  12.1226  12.1915
    14.3016  14.3911  14.5347  14.6510  14.7305  14.9143  16.8198  17.0597
    17.2950  17.4882  17.5252  17.5396  18.0064  18.0175  18.1114  18.1642
    19.3029  19.3745  19.5120  19.5368  19.6670  19.6737  19.8204

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2340 0.0000 (  5545 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9130 -28.9124 -28.8740 -28.8739
   -28.8367 -28.8367 -26.4232 -26.4097 -26.3444 -26.3239 -26.2691 -26.2559
   -26.2381 -26.2294 -26.1976 -26.1934  -7.8384  -7.7090  -7.4770  -7.4441
    -7.3339  -7.2592  -6.8886  -6.7862  -6.6210  -6.5740  -6.5546  -6.5163
    -3.8126  -3.5561  -3.5168  -3.3610  -3.3164  -3.1566  -2.7472  -2.5751
    -2.5671  -2.5304  -2.4325  -2.2969   7.6353   7.7248   7.7390   7.7936
     8.0563   8.2827   8.6947   8.7869   8.8339   8.9581   9.1721   9.2119
     9.2180   9.3722   9.5295   9.5976   9.7623   9.8273  10.1679  10.2202
    10.4002  10.4794  10.6235  10.8086  10.8882  11.0201  11.0692  11.3066
    11.3324  11.4885  11.6698  11.7065  11.9864  12.0615  12.1093  12.2412
    14.0895  14.3420  14.6187  14.6346  14.7857  14.8602  16.6983  16.9936
    17.1167  17.2083  17.5343  17.6130  17.9098  17.9951  18.1050  18.1504
    19.1533  19.2829  19.4763  19.7381  20.0479  20.1167  20.1511

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2340 0.1383 (  5536 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9132 -28.9121 -28.8741 -28.8739
   -28.8367 -28.8367 -26.4236 -26.4079 -26.3526 -26.3092 -26.2848 -26.2508
   -26.2362 -26.2255 -26.2049 -26.1895  -7.8129  -7.6908  -7.5139  -7.4270
    -7.3265  -7.2120  -6.8793  -6.7999  -6.6647  -6.6040  -6.5722  -6.5500
    -3.7621  -3.4978  -3.4722  -3.3538  -3.2479  -3.1378  -2.8030  -2.7126
    -2.6020  -2.5775  -2.3816  -2.2895   7.6265   7.6718   7.9119   8.0103
     8.0549   8.3245   8.6781   8.8177   8.8513   8.9763   9.1298   9.1844
     9.2310   9.3627   9.5122   9.5320   9.7378   9.8249   9.9524   9.9914
    10.2776  10.5522  10.6736  10.8410  10.9496  11.0158  11.1747  11.2031
    11.3818  11.5383  11.5589  11.8381  11.8917  12.0199  12.0977  12.2108
    14.1738  14.4480  14.6011  14.6587  14.7549  14.8483  16.8369  17.0398
    17.1473  17.2197  17.4837  17.5814  17.9371  17.9949  18.0704  18.1350
    19.2220  19.2804  19.4575  19.7313  19.9010  20.0426  20.0964

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2340 0.2767 (  5557 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9131 -28.9121 -28.8741 -28.8738
   -28.8367 -28.8366 -26.4252 -26.4034 -26.3516 -26.3185 -26.2812 -26.2503
   -26.2333 -26.2287 -26.2031 -26.1899  -7.7419  -7.6654  -7.5672  -7.4975
    -7.1968  -7.1296  -6.8776  -6.8352  -6.7739  -6.6854  -6.5929  -6.5706
    -3.6311  -3.5051  -3.3061  -3.2706  -3.1817  -3.0633  -2.9827  -2.9051
    -2.6589  -2.6346  -2.3438  -2.3056   7.7391   7.7742   7.8976   7.9766
     8.4115   8.5898   8.6767   8.7728   8.8684   8.9868   9.1162   9.1231
     9.2370   9.2590   9.3588   9.4317   9.6646   9.6937   9.9188  10.0169
    10.1756  10.3116  10.6321  10.6777  10.8867  10.9665  11.3274  11.3737
    11.4780  11.5402  11.6237  11.7397  11.8727  11.9678  12.1114  12.1726
    14.4066  14.5337  14.5531  14.7028  14.7098  14.8042  16.8988  17.0931
    17.2394  17.3287  17.4274  17.5536  17.9571  17.9916  18.0677  18.1334
    19.2220  19.3882  19.4580  19.6534  19.7367  19.8251  20.0376

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4681 0.0000 (  5550 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9129 -28.9128 -28.8741 -28.8740
   -28.8368 -28.8368 -26.4259 -26.4259 -26.3060 -26.3060 -26.2862 -26.2861
   -26.2362 -26.2361 -26.1875 -26.1875  -7.9181  -7.9181  -7.5290  -7.5290
    -7.3007  -7.3006  -6.5919  -6.5919  -6.5730  -6.5730  -6.5071  -6.5071
    -3.6414  -3.6414  -3.5718  -3.5718  -3.3849  -3.3849  -2.6453  -2.6453
    -2.4439  -2.4438  -2.2807  -2.2807   7.5500   7.5500   7.7256   7.7257
     8.1303   8.1303   8.6482   8.6482   8.9903   8.9904   9.0963   9.0964
     9.4915   9.4915   9.6650   9.6651   9.7699   9.7699  10.1228  10.1229
    10.5281  10.5281  10.6286  10.6287  10.7759  10.7759  11.0720  11.0720
    11.5712  11.5712  11.8986  11.8986  12.0335  12.0335  12.0990  12.0991
    14.0014  14.0014  14.6779  14.6780  14.8865  14.8865  16.6937  16.6937
    17.1788  17.1789  17.5823  17.5824  17.9285  17.9285  18.1693  18.1694
    19.1697  19.1698  19.5542  19.5543  20.2107  20.2111  20.4189

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4681 0.1383 (  5542 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9128 -28.9127 -28.8741 -28.8740
   -28.8368 -28.8368 -26.4230 -26.4230 -26.3215 -26.3215 -26.2747 -26.2747
   -26.2321 -26.2321 -26.1905 -26.1905  -7.8894  -7.8894  -7.5771  -7.5771
    -7.2348  -7.2348  -6.6675  -6.6674  -6.5642  -6.5642  -6.5129  -6.5129
    -3.6402  -3.6402  -3.4757  -3.4757  -3.3509  -3.3509  -2.7519  -2.7519
    -2.4268  -2.4268  -2.3091  -2.3091   7.6430   7.6431   7.8238   7.8238
     8.1291   8.1291   8.6695   8.6695   9.0209   9.0209   9.0694   9.0694
     9.3811   9.3812   9.5950   9.5950   9.7598   9.7598   9.9405   9.9405
    10.5292  10.5292  10.7253  10.7253  10.8697  10.8697  11.0892  11.0892
    11.6193  11.6193  11.7722  11.7722  11.9461  11.9461  12.0798  12.0798
    14.1505  14.1505  14.6791  14.6791  14.8640  14.8640  16.8179  16.8179
    17.1789  17.1791  17.5313  17.5314  17.9400  17.9401  18.1362  18.1362
    19.2255  19.2256  19.5512  19.5514  20.1831  20.1848  20.3642

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4681 0.2767 (  5516 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9127 -28.9127 -28.8741 -28.8741
   -28.8368 -28.8367 -26.4142 -26.4141 -26.3468 -26.3468 -26.2577 -26.2577
   -26.2230 -26.2230 -26.2004 -26.2003  -7.8068  -7.8067  -7.6887  -7.6887
    -7.0643  -7.0643  -6.8492  -6.8491  -6.5493  -6.5493  -6.5299  -6.5298
    -3.5484  -3.5484  -3.4542  -3.4542  -3.1839  -3.1839  -2.9643  -2.9643
    -2.4116  -2.4116  -2.3703  -2.3703   7.8140   7.8140   8.0138   8.0138
     8.2045   8.2045   8.5901   8.5901   8.9093   8.9093   8.9898   8.9898
     9.3310   9.3310   9.4691   9.4691   9.7939   9.7940   9.9945   9.9946
    10.4447  10.4447  10.5966  10.5966  10.9388  10.9388  11.1320  11.1320
    11.5223  11.5223  11.7297  11.7297  11.9585  11.9585  12.0609  12.0609
    14.4077  14.4078  14.6512  14.6512  14.7973  14.7974  16.9946  16.9946
    17.1941  17.1942  17.4543  17.4544  17.9411  17.9411  18.1090  18.1092
    19.3547  19.3550  19.5440  19.5443  20.1334  20.1342  20.2609

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.0000 0.1383 (  5559 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9134 -28.9119 -28.8733 -28.8732
   -28.8368 -28.8366 -26.4392 -26.3815 -26.3404 -26.3060 -26.2896 -26.2715
   -26.2273 -26.2240 -26.2086 -26.1998  -7.6629  -7.6174  -7.5477  -7.3566
    -7.3147  -7.0454  -6.9589  -6.8002  -6.7233  -6.6130  -6.5655  -6.4838
    -4.4173  -3.6202  -3.4344  -3.3569  -3.2326  -3.1977  -2.8531  -2.7214
    -2.6717  -2.5661  -2.2293  -2.2126   7.6032   7.7306   7.8287   7.9147
     8.3788   8.4853   8.7017   8.7239   8.8724   8.9221   8.9586   9.0663
     9.2889   9.3943   9.4856   9.5579   9.5634   9.9572  10.0602  10.2977
    10.4253  10.5288  10.6248  10.8498  11.0160  11.2569  11.2780  11.5542
    11.5573  11.6673  11.7402  11.8565  11.9375  12.1913  12.2799  12.4165
    14.1485  14.1610  14.3839  14.4158  14.5985  14.8973  16.7479  16.9075
    16.9375  17.3592  17.4009  17.4725  17.9436  17.9797  18.0843  18.1377
    19.1820  19.2421  19.6137  19.7291  19.8152  19.9082  20.0645

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.0000 0.2767 (  5552 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9127 -28.9126 -28.8734 -28.8731
   -28.8367 -28.8366 -26.4350 -26.4009 -26.3202 -26.2992 -26.2921 -26.2765
   -26.2245 -26.2222 -26.2099 -26.2077  -7.6003  -7.5603  -7.4483  -7.3684
    -7.3606  -7.1938  -6.8919  -6.8448  -6.7410  -6.6127  -6.5883  -6.5773
    -4.0924  -3.7326  -3.4847  -3.3305  -3.3030  -3.2243  -2.8768  -2.7997
    -2.5291  -2.4404  -2.3396  -2.2915   7.7360   7.8557   7.9238   8.1766
     8.3028   8.5092   8.6119   8.6151   8.9507   9.0236   9.0240   9.0768
     9.2443   9.2454   9.4193   9.5130   9.5410   9.9383  10.1356  10.1940
    10.2508  10.3799  10.4978  10.7159  10.9719  11.1654  11.5108  11.5406
    11.6725  11.6784  11.7723  11.9199  12.0059  12.1069  12.1338  12.3208
    14.1826  14.2132  14.4806  14.5910  14.5946  14.8186  16.7968  16.8848
    17.1644  17.2925  17.3540  17.5069  17.9784  18.0087  18.0487  18.1086
    19.1526  19.2912  19.5638  19.6593  19.7186  19.9259  20.1651

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000-0.2340 0.1383 (  5559 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9133 -28.9123 -28.8734 -28.8732
   -28.8368 -28.8367 -26.4334 -26.3927 -26.3502 -26.3087 -26.2792 -26.2595
   -26.2281 -26.2222 -26.2092 -26.2038  -7.7386  -7.5683  -7.5089  -7.3536
    -7.1614  -7.0979  -7.0752  -7.0191  -6.7176  -6.5658  -6.5308  -6.5235
    -4.1572  -3.4925  -3.4354  -3.3341  -3.2544  -2.9594  -2.9191  -2.7810
    -2.6726  -2.6103  -2.4156  -2.2527   7.7782   7.7960   7.8997   8.1160
     8.1966   8.3633   8.5793   8.6766   8.8263   8.9070   9.0233   9.1594
     9.2510   9.3976   9.4393   9.5201   9.6756   9.7895   9.9889  10.2260
    10.4335  10.5842  10.6820  10.7744  11.0128  11.0950  11.1396  11.4602
    11.5126  11.6246  11.8086  11.8268  11.8710  12.0651  12.1826  12.3247
    14.1854  14.4470  14.4646  14.5920  14.6366  14.8309  16.6736  17.0167
    17.2983  17.3181  17.3867  17.4501  17.8888  17.9851  18.0718  18.1161
    19.1473  19.3371  19.4795  19.6564  19.7404  19.9884  20.0510

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000-0.2340 0.2767 (  5562 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9128 -28.9127 -28.8734 -28.8732
   -28.8368 -28.8367 -26.4290 -26.4056 -26.3325 -26.3176 -26.2769 -26.2616
   -26.2251 -26.2217 -26.2139 -26.2033  -7.6806  -7.6033  -7.4051  -7.3173
    -7.1754  -7.1630  -7.0608  -6.9673  -6.8194  -6.6670  -6.5544  -6.5396
    -3.8982  -3.6327  -3.3140  -3.2728  -3.1995  -3.0944  -2.9201  -2.8859
    -2.6435  -2.6154  -2.4164  -2.3312   7.8962   7.9079   8.0101   8.1196
     8.3154   8.4579   8.5825   8.7657   8.8966   8.9442   9.0501   9.1465
     9.1840   9.3211   9.3502   9.4049   9.5563   9.7889   9.9193  10.1351
    10.2096  10.4383  10.6007  10.8435  10.9031  11.0575  11.3222  11.4640
    11.5587  11.6430  11.7616  11.8239  11.9125  12.0420  12.1738  12.2430
    14.4063  14.4849  14.5006  14.6299  14.6410  14.7342  16.8076  17.0286
    17.2326  17.3111  17.4131  17.5587  17.9406  17.9998  18.0224  18.0879
    19.2196  19.2810  19.4000  19.6589  19.7618  19.8742  20.0526

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.4681 0.1383 (  5574 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9129 -28.9129 -28.8734 -28.8733
   -28.8369 -28.8368 -26.4174 -26.4174 -26.3344 -26.3343 -26.2580 -26.2580
   -26.2248 -26.2248 -26.2086 -26.2085  -7.6709  -7.6709  -7.4160  -7.4160
    -7.2603  -7.2603  -6.8209  -6.8209  -6.7301  -6.7301  -6.6248  -6.6247
    -3.5372  -3.5371  -3.4122  -3.4122  -3.1513  -3.1513  -2.8455  -2.8454
    -2.6069  -2.6069  -2.4668  -2.4668   7.8463   7.8463   8.0429   8.0429
     8.2283   8.2284   8.6291   8.6291   8.9316   8.9316   9.1878   9.1878
     9.3204   9.3204   9.5221   9.5221   9.7094   9.7094   9.8912   9.8912
    10.2082  10.2083  10.8354  10.8354  10.9164  10.9164  11.3340  11.3341
    11.5277  11.5277  11.8151  11.8151  11.9518  11.9519  12.1839  12.1839
    14.3240  14.3240  14.6610  14.6610  14.7891  14.7891  17.0285  17.0285
    17.3053  17.3053  17.4846  17.4846  17.8389  17.8389  18.0829  18.0830
    19.0357  19.0358  19.6892  19.6899  19.9865  19.9866  20.2203

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.4681 0.2767 (  5566 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9129 -28.9128 -28.8734 -28.8733
   -28.8368 -28.8368 -26.4171 -26.4171 -26.3334 -26.3334 -26.2608 -26.2608
   -26.2276 -26.2276 -26.2043 -26.2043  -7.6063  -7.6063  -7.5085  -7.5085
    -7.0877  -7.0876  -6.8903  -6.8903  -6.7550  -6.7550  -6.7188  -6.7187
    -3.4026  -3.4026  -3.3096  -3.3096  -3.1211  -3.1211  -2.9896  -2.9896
    -2.6230  -2.6229  -2.5481  -2.5481   7.9448   7.9448   8.0461   8.0462
     8.4723   8.4723   8.7570   8.7570   8.9198   8.9199   9.0699   9.0699
     9.1874   9.1875   9.4516   9.4516   9.6920   9.6921   9.8127   9.8127
    10.2420  10.2420  10.5389  10.5390  11.0829  11.0829  11.2499  11.2499
    11.5817  11.5817  11.7608  11.7608  12.0247  12.0247  12.1337  12.1337
    14.4999  14.4999  14.6485  14.6485  14.7312  14.7312  17.1469  17.1470
    17.3565  17.3565  17.4378  17.4378  17.8417  17.8418  18.0518  18.0521
    19.1225  19.1225  19.5321  19.5325  19.9311  19.9315  20.1785

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.0000 0.1383 (  5543 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9125 -28.9125 -28.8740 -28.8738
   -28.8367 -28.8365 -26.4276 -26.3865 -26.3556 -26.3305 -26.2703 -26.2591
   -26.2363 -26.2248 -26.2001 -26.1958  -7.6035  -7.4761  -7.4569  -7.3072
    -7.2769  -7.1214  -7.1059  -7.0848  -6.8466  -6.8312  -6.5832  -6.5240
    -3.7631  -3.4063  -3.3380  -3.3247  -3.1174  -2.9481  -2.8151  -2.7716
    -2.7638  -2.7170  -2.4316  -2.3657   7.5906   7.6623   8.0415   8.1670
     8.4041   8.4341   8.5179   8.7763   8.7864   8.9846   9.0221   9.0339
     9.3388   9.5064   9.5735   9.6054   9.6516   9.6565   9.9761  10.0236
    10.1129  10.4136  10.6133  10.7717  10.8555  11.0770  11.2929  11.3768
    11.4272  11.5028  11.7228  11.8278  11.8397  12.0128  12.1516  12.2781
    14.3682  14.3886  14.5299  14.5936  14.6822  14.8513  16.8626  17.1038
    17.1615  17.4117  17.4880  17.5509  17.9405  17.9963  18.0737  18.1465
    19.2381  19.3699  19.5565  19.6658  19.8161  19.9218  19.9681

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.0000 0.2767 (  5557 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9130 -28.9120 -28.8741 -28.8736
   -28.8367 -28.8365 -26.4340 -26.3978 -26.3211 -26.3027 -26.3000 -26.2795
   -26.2377 -26.2325 -26.1942 -26.1872  -7.5361  -7.4666  -7.3807  -7.3241
    -7.2699  -7.1994  -7.0948  -7.0446  -6.8435  -6.8171  -6.6719  -6.6456
    -3.5562  -3.3710  -3.2420  -3.2387  -3.1702  -3.0385  -2.9112  -2.8878
    -2.7708  -2.7284  -2.4089  -2.3854   7.6786   7.7599   7.9227   8.0980
     8.5123   8.6999   8.7689   8.7750   8.8983   8.9960   9.0628   9.1682
     9.3179   9.4393   9.4697   9.5055   9.5696   9.6930   9.8423   9.8491
     9.9972  10.2398  10.3880  10.4261  10.8319  11.0469  11.3437  11.4462
    11.5432  11.5740  11.8947  11.9292  11.9393  12.0022  12.0869  12.2068
    14.3379  14.3795  14.5312  14.6118  14.7514  14.9121  16.8195  17.0671
    17.2762  17.4966  17.5193  17.5982  18.0105  18.0275  18.0960  18.1237
    19.2718  19.3535  19.5170  19.5796  19.6153  19.7291  19.7672

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000-0.2340 0.1383 (  5536 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9127 -28.9126 -28.8741 -28.8739
   -28.8367 -28.8366 -26.4277 -26.3981 -26.3602 -26.2998 -26.2965 -26.2474
   -26.2353 -26.2256 -26.2051 -26.1894  -7.8127  -7.6920  -7.5143  -7.4235
    -7.3283  -7.2128  -6.8787  -6.7984  -6.6665  -6.6032  -6.5755  -6.5473
    -3.7600  -3.5000  -3.4739  -3.3535  -3.2477  -3.1381  -2.8058  -2.7070
    -2.6019  -2.5763  -2.3801  -2.2933   7.6199   7.6693   7.9390   7.9629
     8.1276   8.2820   8.6803   8.7864   8.8638   8.9678   9.0920   9.1798
     9.2602   9.3995   9.4970   9.5985   9.6597   9.7987   9.9561  10.0936
    10.3019  10.5289  10.5563  10.8256  10.9695  11.0521  11.1607  11.2700
    11.3740  11.5400  11.6175  11.8232  11.8447  12.0483  12.0738  12.1816
    14.2348  14.3445  14.6322  14.6455  14.8003  14.8230  16.7702  17.1242
    17.1556  17.2422  17.4857  17.5860  17.9123  17.9981  18.0918  18.1017
    19.1445  19.3295  19.4943  19.6787  19.8697  20.0370  20.1829

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000-0.2340 0.2767 (  5557 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9129 -28.9123 -28.8741 -28.8738
   -28.8367 -28.8366 -26.4268 -26.3998 -26.3491 -26.3279 -26.2712 -26.2573
   -26.2344 -26.2267 -26.2007 -26.1912  -7.7412  -7.6676  -7.5667  -7.4959
    -7.1973  -7.1304  -6.8754  -6.8377  -6.7704  -6.6888  -6.5918  -6.5709
    -3.6282  -3.5077  -3.3076  -3.2714  -3.1831  -3.0627  -2.9787  -2.9068
    -2.6563  -2.6355  -2.3408  -2.3097   7.7199   7.7890   7.9009   7.9874
     8.4046   8.5579   8.7159   8.7910   8.8865   8.8918   9.1099   9.1583
     9.2040   9.3074   9.3770   9.4826   9.5720   9.6905   9.8687  10.1125
    10.1963  10.2989  10.6042  10.7346  10.8658  10.9025  11.3389  11.4260
    11.4660  11.5877  11.6290  11.7004  11.8311  11.9933  12.0950  12.1715
    14.4178  14.4763  14.6118  14.6863  14.7156  14.7974  16.8805  17.1004
    17.2226  17.3509  17.5086  17.5222  17.9646  17.9852  18.0499  18.1142
    19.2248  19.3651  19.4961  19.6032  19.7169  19.8159  20.1090

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.4681 0.1383 (  5542 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9128 -28.9128 -28.8741 -28.8740
   -28.8368 -28.8368 -26.4204 -26.4204 -26.3325 -26.3325 -26.2614 -26.2613
   -26.2354 -26.2354 -26.1922 -26.1921  -7.8897  -7.8897  -7.5766  -7.5766
    -7.2352  -7.2352  -6.6659  -6.6658  -6.5657  -6.5657  -6.5129  -6.5129
    -3.6390  -3.6390  -3.4776  -3.4776  -3.3508  -3.3508  -2.7504  -2.7504
    -2.4270  -2.4270  -2.3096  -2.3096   7.6628   7.6628   7.7909   7.7910
     8.1321   8.1322   8.6658   8.6659   9.0187   9.0187   9.0862   9.0863
     9.4191   9.4191   9.5567   9.5567   9.7872   9.7872   9.9390   9.9390
    10.4700  10.4700  10.6977  10.6977  10.9633  10.9634  11.0495  11.0495
    11.6327  11.6327  11.7611  11.7612  11.9296  11.9296  12.1065  12.1065
    14.1406  14.1406  14.6763  14.6763  14.8639  14.8639  16.8261  16.8262
    17.1784  17.1786  17.5403  17.5404  17.9302  17.9302  18.1361  18.1361
    19.1959  19.1960  19.6072  19.6079  20.1542  20.1550  20.3883

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.4681 0.2767 (  5516 PWs)   bands (ev):

   -57.1240 -57.1239 -54.4183 -54.4183 -28.9127 -28.9127 -28.8741 -28.8740
   -28.8368 -28.8367 -26.4117 -26.4117 -26.3522 -26.3521 -26.2522 -26.2522
   -26.2237 -26.2236 -26.2022 -26.2022  -7.8072  -7.8072  -7.6882  -7.6882
    -7.0648  -7.0648  -6.8484  -6.8483  -6.5500  -6.5500  -6.5296  -6.5296
    -3.5471  -3.5470  -3.4554  -3.4554  -3.1862  -3.1862  -2.9614  -2.9614
    -2.4130  -2.4130  -2.3696  -2.3695   7.8713   7.8713   7.9181   7.9181
     8.2274   8.2274   8.6273   8.6273   8.8585   8.8585   9.0237   9.0237
     9.3233   9.3233   9.4770   9.4770   9.7876   9.7876  10.0551  10.0551
    10.3244  10.3244  10.6437  10.6437  10.9385  10.9385  11.1461  11.1461
    11.5565  11.5565  11.6939  11.6939  11.9417  11.9418  12.0814  12.0814
    14.4137  14.4137  14.6388  14.6388  14.7973  14.7973  17.0010  17.0011
    17.1937  17.1938  17.4610  17.4611  17.9348  17.9348  18.1067  18.1068
    19.3201  19.3203  19.5969  19.5971  20.1237  20.1248  20.2239

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

     the Fermi energy is    15.8105 ev

!    total energy              =   -1462.85675478 Ry
     Harris-Foulkes estimate   =   -1462.85675500 Ry
     estimated scf accuracy    <       0.00000068 Ry

     The total energy is the sum of the following terms:

     one-electron contribution =    -390.26396439 Ry
     hartree contribution      =     309.62448335 Ry
     xc contribution           =    -287.58003794 Ry
     ewald contribution        =   -1094.88316284 Ry
     Hubbard energy            =       0.24592704 Ry
     smearing contrib. (-TS)   =      -0.00000000 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    11.08 Bohr mag/cell

     convergence has been achieved in  11 iterations

     Writing output data file YCrO3.save/

     init_run     :    166.58s CPU     31.30s WALL (       1 calls)
     electrons    :  16161.06s CPU   2704.50s WALL (       1 calls)

     Called by init_run:
     wfcinit      :    159.73s CPU     27.91s WALL (       1 calls)
     wfcinit:atom :      1.17s CPU      0.18s WALL (      78 calls)
     wfcinit:wfcr :    140.29s CPU     23.57s WALL (      78 calls)
     potinit      :      1.00s CPU      0.87s WALL (       1 calls)
     hinit0       :      2.56s CPU      1.78s WALL (       1 calls)

     Called by electrons:
     c_bands      :  15533.22s CPU   2597.55s WALL (      11 calls)
     sum_band     :    589.84s CPU     99.22s WALL (      11 calls)
     v_of_rho     :      1.16s CPU      0.22s WALL (      12 calls)
     v_h          :      0.27s CPU      0.06s WALL (      12 calls)
     v_xc         :      0.89s CPU      0.16s WALL (      12 calls)
     newd         :     38.16s CPU      7.62s WALL (      12 calls)
     mix_rho      :      1.09s CPU      0.28s WALL (      11 calls)

     Called by c_bands:
     init_us_2    :     21.55s CPU      3.56s WALL (    1872 calls)
     ccgdiagg     :  14417.90s CPU   2411.33s WALL (     883 calls)
     wfcrot       :   1235.12s CPU    206.35s WALL (     883 calls)

     Called by sum_band:
     sum_band:bec :      0.89s CPU      0.16s WALL (     858 calls)
     addusdens    :     48.43s CPU      8.71s WALL (      11 calls)

     Called by *cgdiagg:
     h_psi        :  10862.07s CPU   1815.37s WALL (  279399 calls)
     s_psi        :   2433.60s CPU    409.34s WALL (  557993 calls)
     cdiaghg      :     29.93s CPU      5.03s WALL (     883 calls)

     Called by h_psi:
     h_psi:pot    :  10466.00s CPU   1748.14s WALL (  279399 calls)
     h_psi:calbec :   1361.70s CPU    227.63s WALL (  279399 calls)
     vloc_psi     :   4153.99s CPU    694.48s WALL (  279399 calls)
     add_vuspsi   :   4944.09s CPU    825.26s WALL (  279399 calls)
     vhpsi        :    376.24s CPU     63.69s WALL (  279399 calls)
     h_1psi       :  11022.08s CPU   1843.14s WALL (  278516 calls)

     General routines
     calbec       :   2709.11s CPU    453.79s WALL (  839108 calls)
     fft          :      1.55s CPU      0.42s WALL (     128 calls)
     ffts         :      0.35s CPU      0.06s WALL (      46 calls)
     fftw         :   4390.08s CPU    732.26s WALL (  833076 calls)
     interpolate  :      0.49s CPU      0.12s WALL (      24 calls)
     davcio       :      0.03s CPU      0.04s WALL (      78 calls)


     Hubbard U routines
     new_ns       :      8.05s CPU      1.36s WALL (      11 calls)
     vhpsi        :    376.24s CPU     63.69s WALL (  279399 calls)

     PWSCF        :     4h32m CPU    45m36.64s WALL


   This run was terminated on:   9:25:25  12Nov2018            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
